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). |