5NFT
Glucocorticoid Receptor in complex with AZD5423
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.371, 84.371, 106.119 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.930 - 2.300 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4csj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.960 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.930 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.212 | |
| Number of reflections | 19805 | 1432 |
| <I/σ(I)> | 21.7 | 9.3 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 8.9 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 2 ul of protein and 1ul of well solution (8-12% PEG8000, 10-20% ethylene glycol and 0.1 M Hepes pH 7.5) |
