2XEJ
Human glutamate carboxypeptidase II in complex with ARM-M4, urea- based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-21 |
| Detector | MARRESEARCH |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.508, 129.958, 159.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.780 |
| R-factor | 0.15706 |
| Rwork | 0.157 |
| R-free | 0.18467 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oot |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.717 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.090 | 0.520 |
| Number of reflections | 100565 | |
| <I/σ(I)> | 21.3 | 2.5 |
| Completeness [%] | 99.7 | 97.3 |
| Redundancy | 7.1 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 33% (V/V) PENTAERYTHRITOL PROPOXYLATE PO/OH 5/4, 1% (W/V) PEG 3350, 100 MM TRIS-HCL, pH 8.0 |
