Table 1 X-ray data collection and refinement statistics for YejMPD structures.
From: The essential inner membrane protein YejM is a metalloenzyme
YejMPD | YejMPD-F349A | |
|---|---|---|
PDB ID | 6VAT | 6VC7 |
Data collection | ALS BEAMLINE 4.2.2 | ALS BEAMLINE 4.2.2 |
Wavelength (Å) | 1.00003 | 1.00003 |
Space group | P 32 2 1 | P 21 21 21 |
Cell dimensions | ||
a, b, c (Å) | 113.80,113.80,299.78 | 121.45,125.10,182.75 |
α, β, γ (°) | 90.00, 90.00, 120.00 | 90.00,90.00,90.00 |
Resolution (Å) | 59.655–2.35 (2.39–2.35)* | 47.50–2.05 (2.08–2.05) |
Rmerge | 0.224 (2.192) | 0.112(2.078) |
I/σI | 11.1 (0.7) | 13.8 (0.6) |
CC1/2 | 0.993 (0.212) | 0.996 (0.188) |
Completeness (%) | 99.9 (99.0) | 85.88 (48.97) |
Redundancy | 9.6 (5.0) | 6.4 (3.7) |
Refinement | ||
Resolution (Å) | 56.9—2.35 (2.434—2.35) | 43.57—2.05 (2.123—2.05) |
No. reflections | 94,485 (9231) | 150,131 (8464) |
Rwork/Rfree | 0.1963/0.2489 | 0.1847/0.2270 |
No. atoms | 17,290 | 17,703 |
Protein | 16,358 | 16,353 |
Ligand/ion | 245 | 340 |
Water | 687 | 1010 |
B-factors | 52.67 | 47.21 |
Protein | 53.00 | 47.01 |
Ligand/ion | 61.84 | 62.56 |
Water | 41.64 | 45.18 |
R.m.s deviations | ||
Bond lengths (Å) | 0.004 | 0.005 |
Bond angles (°) | 0.62 | 0.77 |
Ramachandran statistics | ||
Favored (%) | 92.11 | 94.59 |
Allowed (%) | 6.38 | 4.39 |
Outliers (%) | 1.51 | 1.02 |
