5D6E
Structure of human methionine aminopeptidase 2 with covalent spiroepoxytriazole inhibitor (-)-31b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.07160 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.600, 98.790, 101.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.490 |
| R-factor | 0.11248 |
| Rwork | 0.110 |
| R-free | 0.15559 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cls |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.873 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.529 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.053 | 0.740 |
| Number of reflections | 73029 | |
| <I/σ(I)> | 13.94 | 2.17 |
| Completeness [%] | 99.3 | 99.6 |
| Redundancy | 4.33 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 292 | Na Citrate, Tert-butanol |
