8BOL
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.686, 130.248, 159.501 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.010 - 1.550 |
R-factor | 0.19292 |
Rwork | 0.192 |
R-free | 0.21350 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5o5t |
RMSD bond length | 0.014 |
RMSD bond angle | 1.622 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 1.640 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.082 | 1.663 |
Rmeas | 0.089 | |
Number of reflections | 152652 | 24271 |
<I/σ(I)> | 12.82 | |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 6.6 | 6.2 |
CC(1/2) | 0.999 | 0.664 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 34% (v/v) pentaerythritol propoxylate PO/OH 5/4 1 % (w/v) PEG 3350 100 mM Tris-HCl, pH 8.0 |