4W9Y
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a glutamyl sulfamide inhibitor CJC47
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-14 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.189, 130.425, 158.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.430 - 1.640 |
| R-factor | 0.15951 |
| Rwork | 0.159 |
| R-free | 0.17694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.630 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.066 | |
| Number of reflections | 94692 | |
| <I/σ(I)> | 19 | 2.5 |
| Completeness [%] | 99.2 | 95.7 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 288 | 34% (v/v) pentaerythritol propoxylate PO/OH 5/4, 0.5 % (w/v) PEG 3350, and 100 mM Tris-HCl, pH 8.0 |
