5CLS
Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.87260 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.620, 101.180, 100.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.820 - 1.750 |
| R-factor | 0.16095 |
| Rwork | 0.160 |
| R-free | 0.18885 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.018 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.000 | 1.795 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.053 | 0.758 |
| Number of reflections | 45986 | |
| <I/σ(I)> | 16.2 | 2 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 3.58 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 292 | Na Citrate, Tert-butanol |
