6SGP
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.349, 130.394, 158.538 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.900 - 1.580 |
| R-factor | 0.1813 |
| Rwork | 0.180 |
| R-free | 0.20110 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bi1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.354 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.670 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.040 | 0.689 |
| Rmeas | 0.045 | 0.789 |
| Number of reflections | 141047 | 22618 |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 97.0 | 97.3 |
| Redundancy | 4.4 | 4.9 |
| CC(1/2) | 1.000 | 0.830 |
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 |
