Table 1 Data collection and structure refinement.
From: Molecular basis of the alternative recruitment of GABAA versus glycine receptors through gephyrin
Parameters | Structure | |||
|---|---|---|---|---|
GephE+α11 WT | GephE+α11 SL | |||
Beamline | ID 23–2 | ID 14–4 | ID 23–2 | ID 14–4 |
Wavelength (Å) | 0.8726 | 0.9393 | 0.8726 | 0.9393 |
Space group | P 21 21 2 | P 61 | P 21 21 2 | P 61 |
Unit cell parameters a, b, c (Å) | 110.44, 157.69, 51.01 | 164.5, 164.5, 129.4 | 110.00, 157.20, 51.03 | 160.2, 160.2, 127.9 |
Resolution limits (Å) | 48.6–2.7 | 49.72–4.1 | 48.53–2.7 | 67.88–3.6 |
Rsym* | 0.212 (1.150) | 0.202 (1.030) | 0.164 (1.283) | 0.158 (0.956) |
R pim † | 0.144 (0.793) | 0.115 (0.586) | 0.107 (0.848) | 0.071 (0.433) |
CC1/2 | 0.980 (0.583) | 0.984 (0.456) | 0.993 (0.444 ) | 0.993 (0.427) |
Redundancy | 5.7 (5.7) | 4.1 ( 4.1) | 6.1 (6.2) | 5.6 (5.7) |
Unique reflections | 25,198 | 15,728 | 25,090 | 21,728 |
Completeness | 0.99 (0.99) | 0.99 (1.0) | 1.0 (1.0) | 1.0 (1.0) |
‹I/ σI›‡ | 7.8 (1.6) | 6.0 (1.6) | 9.1 (1.3) | 7.6 (1.7) |
R§/Rfree|| | 0.215/0.262 | 0.183/0.236 | 0.229/0.267 | 0.176/0.216 |
Deviation from ideal values | ||||
Bond distances (Å) | 0.007 | 0.002 | 0.002 | 0.003 |
Bond angles (°) | 1.295 | 0.584 | 0.656 | 0.707 |
Torsion angles (°) | 15.947 | 11.441 | 12.150 | 11.574 |
Planar groups (Å) | 0.005 | 0.003 | 0.003 | 0.003 |
Chiral centres (Å3) | 0.074 | 0.022 | 0.023 | 0.026 |
Ramachandran statistics (%; preferred/allowed/outliers)¶ | 96.4/3.4/0.2 | 98.2/1.7/0.1 | 98.1/1.9/0.0 | 97.4/2.6/0.0 |
No. of atoms | ||||
Protein | 6,209 | 6,277 | 6,296 | 6,259 |
Peptide | 159 | 136 | 133 | 141 |
Overall average B factor (Å2) | 50.5 | 160.4 | 72.1 | 128.5 |
GephE monomer A | 50.0 | 151.4 | 73.0 | 121.4 |
GephE monomer B | 52.3 | 166.8 | 74.6 | 133.9 |
Peptide A | 48.4 | 225.8 | 97.4 | 165.8 |
Peptide B | 72.6 | 213.9 | 87.0 | 165.6 |
Coordinate error (Å)# | 0.30 | 0.53 | 0.39 | 0.51 |
- Numbers in parentheses refer to the respective highest resolution data shell in each data set.
- *Rsym=ΣhklΣi|Ii−‹I›|/ΣhklΣiIi, where Ii is the ith measurement and ‹I› is the weighted mean of all measurements of I.
- †
, where N is the redundancy of the data and 
the average intensity. - ‡‹I/ σI› indicates the average of the intensity divided by its standard deviation.
- §R=Σhkl ||Fo|−|Fc|| / Σhkl|Fo|, where Fo and Fc are the observed and calculated structure factor amplitudes.
- ||Rfree same as R for 5% of the data randomly omitted from the refinement. The number of reflections includes the Rfree subset.
- ¶Ramachandran statistics were calculated with MolProbity in PHENIX.
- #The coordinate errors represent maximum likelihood derived experimental uncertainties.
the average intensity.