8BO8
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17
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 | 2021-07-22 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.887, 130.286, 159.702 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.010 - 1.550 |
R-factor | 0.20284 |
Rwork | 0.202 |
R-free | 0.22636 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5o5t |
RMSD bond length | 0.015 |
RMSD bond angle | 1.677 |
Data reduction software | XDS (1.02) |
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] | 50.000 | 1.640 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.102 | 2.767 |
Rpim | 0.043 | |
Number of reflections | 152978 | 24349 |
<I/σ(I)> | 10.87 | 0.54 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 6.6 | |
CC(1/2) | 0.998 | 0.449 |
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 |