8BOW
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2015-08-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.281, 130.000, 159.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.250 - 1.580 |
R-factor | 0.18082 |
Rwork | 0.181 |
R-free | 0.19789 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3bi1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.508 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.670 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.055 | 0.710 |
Rmeas | 0.061 | 0.793 |
Number of reflections | 143725 | 22658 |
<I/σ(I)> | 17.86 | 1.98 |
Completeness [%] | 99.5 | 97.9 |
Redundancy | 5.2 | 4.98 |
CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 33% (v/v) pentaerythritol propoxylate PO/OH 5/4 1 % (w/v) PEG 3350 100 mM Tris-HCl, pH 8.0 |