8E1A
Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors
Replaces: 4U4KExperimental 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 | 2013-09-02 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9725 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.953, 65.762, 69.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.200 |
R-factor | 0.12555 |
Rwork | 0.124 |
R-free | 0.15146 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house structure |
RMSD bond length | 0.023 |
RMSD bond angle | 2.147 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.270 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 87299 | 72860 |
<I/σ(I)> | 22.84 | 3.83 |
Completeness [%] | 97.0 | |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295.15 | 0.1M Hepes, 0.4-1M Sodium citrate |