5OF0
X-ray structure of human glutamate carboxypeptidase II (GCPII), the E424M inactive mutant, in complex with a inhibitor CFBzOG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.467, 130.461, 159.574 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.250 - 1.480 |
| R-factor | 0.15708 |
| Rwork | 0.157 |
| R-free | 0.17197 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bi1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.691 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.250 | 1.500 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.040 | 0.673 |
| Rpim | 0.018 | 0.314 |
| Number of reflections | 173724 | 8104 |
| <I/σ(I)> | 17.6 | 1.9 |
| Completeness [%] | 98.9 | 93.9 |
| Redundancy | 5.2 | 5.2 |
| CC(1/2) | 1.000 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 33% (v/v) pentaerythritol propoxylate PO/OH 5/4, 2 % (w/v) PEG 3350, and 100 mM Tris-HCl, pH 8.0 |
