5MWP
The structure of MR in complex with AZD9977.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.599, 78.120, 79.123 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.410 - 1.820 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aa2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.120 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 27442 | 3904 |
| <I/σ(I)> | 16.8 | 3.1 |
| Completeness [%] | 99.2 | 98.9 |
| Redundancy | 6.9 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.9 M (NH4)2SO4, 0.1 M CHES pH 9.5, and 10% (v/v) of conditions E5 from the Morpheus Screen (Molecular Dimensions). |
