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 |
