Table 1. Statistics of data collection and model refinement.
Values in parentheses are for the highest resolution shell.
| sGLIPR1 (PDB entry 3q2u) | Zn2+ complex (PDB entry 3q2r) | |
|---|---|---|
| Space group | P21212 | P21212 |
| Unit-cell parameters () | a = 85.1, b = 79.5, c = 38.8 | a = 85.9, b = 79.7, c = 38.8 |
| Resolution limits () | 29.01.85 (1.951.85) | 27.82.20 (2.302.20) |
| I/(I) | 20.1 (3.2) | 10.4 (5.0) |
| No. of reflections | 279138 (16237) | 86445 (12294) |
| No. of unique reflections | 23229 (3305) | 18698 (2680) |
| Multiplicity | 12.0 (4.9) | 6.1 (6.1) |
| R merge † (%) | 9.3 (49.6) | 14.5 (40.2) |
| Completeness (%) | 99.9 (99.4) | 99.9 (100) |
| Refinement | ||
| R cryst ‡/R free § | 13.4/18.4 (10.0/22.2) | 15.8/19.2 (14.6/20.4) |
| Correlation coefficient | ||
| F o F c | 0.965 | 0.933 |
| F o F c (free) | 0.942 | 0.910 |
| R.m.s. deviations | ||
| Bond lengths () | 0.026 | 0.007 |
| Bond angles () | 1.888 | 1.884 |
| Model composition | ||
| Monomers | 1 | 1 |
| Residues | 193 | 192 |
| Waters | 286 | 258 |
| Zn2+ | 0 | 1 |
| Ramachandran (%) | ||
| Preferred regions | 96.34 | 94.2 |
| Outliers | 1.0 | 0.53 |
†
R
merge = 
, where I
i(hkl) and I(hkl) are the intensity of the ith measurement and the mean intensity of the reflection with indices hkl, respectively.
‡
R
cryst = 
, where F
obs are observed and F
calc are calculated structure-factor amplitudes.
§
The R free set uses a randomly chosen 5% of reflections.