6S1X
X-ray structure of human glutamate carboxypeptidase II (GCPII)-E424M inactive mutant, in complex with a inhibitor KB1160
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2019-01-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 101.404, 130.150, 159.268 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 1.760 |
R-factor | 0.16771 |
Rwork | 0.167 |
R-free | 0.19404 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.741 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.072 | 0.823 |
Number of reflections | 104162 | 16420 |
<I/σ(I)> | 15.91 | |
Completeness [%] | 99.6 | |
Redundancy | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 32% (v/v) pentaerythritol propoxylate PO/OH 5/4; 2 % (w/v) PEG 3350; 100 mM Tris-HCl, pH 8.0 |