Table 1 Data collection and refinement statistics.
From: The middle lipin domain adopts a membrane-binding dimeric protein fold
lipin 1 M-Lipxtal Se-Met | lipin 1 M-Lipxtal | lipin 1 M-Lipxtal crystal form 2 | lipin 2 M-Lipxtal | |
|---|---|---|---|---|
PDB ID | 7KIH | 7KIL | 7KIQ | |
Wavelength (Å) | 0.9793 | 0.9792 | 1.282 | 0.9794 |
Resolution range (Å) | 27.27–1.96 (2.03–1.96) | 33.72–1.47 (1.52–1.47) | 33.76–1.90 (1.97–1.90) | 42.31–2.52 (2.61–2.52) |
Space group | C 2 2 21 | C 2 2 21 | P 1 21 1 | P 1 21 1 |
Unit cell | 41.98 59.63 67.49 90 90 90 | 44.14 59.32 67.44 90 90 90 | 34.28 58.55 42.90 90 100.057 90 | 70.71 84.61 97.51 90 108.901 90 |
Total reflections | 105,048 (7304) | 81,785 (4098) | 88,062 (7815) | 25,1319 (24,007) |
Unique reflections | 6250 (523) | 15,309 (1344) | 13,260 (1280) | 36,270 (3395) |
Multiplicity | 16.8 (14.0) | 5.3 (3.0) | 6.6 (6.1) | 6.9 (7.1) |
Completeness (%) | 94.45 (69.54) | 98.27 (87.61) | 99.08 (95.69) | 98.47 (92.83) |
Mean I/sigma(I) | 11.62 (2.21) | 14.98 (1.32) | 3.93 (1.28) | 5.51 (1.02) |
Wilson B-factor | 37.53 | 24.85 | 19.75 | 44.67 |
R-merge | 0.1348 (0.6495) | 0.05211 (0.5989) | 0.2773 (0.8293) | 0.2552 (2.017) |
R-meas | 0.1393 (0.6495) | 0.05739 (0.7061) | 0.3008 (0.9092) | 0.2761 (2.176) |
R-pim | 0.0346 (0.164) | 0.0236 (0.364) | 0.115 (0.367) | 0.104 (0.813) |
CC1/2 | 0.997 (0.964) | 0.996 (0.849) | 0.978 (0.627) | 0.988 (0.597) |
CC* | 0.999 (0.991) | 0.999 (0.958) | 0.994 (0.878) | 0.997 (0.865) |
Reflections used in refinement | 15240 (1337) | 13181 (1264) | 36209 (3381) | |
Reflections used for R-free | 710 (61) | 1314 (126) | 1842 (160) | |
R-work | 0.1821 (0.4554) | 0.2221 (0.3561) | 0.2126 (0.3199) | |
R-free | 0.2148 (0.5239) | 0.2561 (0.4178) | 0.2518 (0.3447) | |
CC (work) | 0.978 (0.910) | 0.923 (0.767) | 0.951 (0.807) | |
CC (free) | 0.965 (0.843) | 0.941 (0.685) | 0.948 (0.750) | |
Number of non-hydrogen atoms | 847 | 1604 | 6814 | |
Macromolecules | 726 | 1352 | 6550 | |
Ligands | 0 | 19 | 10 | |
Solvent | 121 | 233 | 254 | |
Protein residues | 88 | 174 | 810 | |
RMS (bonds) | 0.004 | 0.006 | 0.005 | |
RMS (angles) | 1.08 | 1.15 | 0.65 | |
Ramachandran favored (%) | 98.84 | 99.41 | 99.22 | |
Ramachandran allowed (%) | 1.16 | 0.59 | 0.65 | |
Ramachandran outliers (%) | 0.00 | 0.00 | 0.13 | |
Rotamer outliers (%) | 0.00 | 0.00 | 0.14 | |
Clashscore | 4.80 | 10.98 | 7.54 | |
Average B-factor | 43.01 | 27.73 | 52.73 | |
Macromolecules | 41.48 | 25.82 | 52.79 | |
Ligands | n/a | 45.92 | 89.22 | |
Solvent | 52.20 | 37.35 | 49.80 |
