6QED
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.300, 99.670, 101.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.700 - 1.800 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19800 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.700 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.471 |
| Rmeas | 0.063 | 0.608 |
| Number of reflections | 42072 | 6664 |
| <I/σ(I)> | 18.3 | 3.3 |
| Completeness [%] | 98.5 | 98.5 |
| Redundancy | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 20% METHANOL, 0.1 M CITRATE, PH 6.0 |
