4LBR
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.70849 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.223, 66.730, 47.288 |
Unit cell angles | 90.00, 92.59, 90.00 |
Refinement procedure
Resolution | 38.556 - 0.800 |
R-factor | 0.1316 |
Rwork | 0.131 |
R-free | 0.13440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1us0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.397 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 0.830 |
High resolution limit [Å] | 0.800 | 1.720 | 0.800 |
Rmerge | 0.048 | 0.036 | 0.346 |
Number of reflections | 297856 | ||
<I/σ(I)> | 12.6 | ||
Completeness [%] | 93.2 | 98.8 | 78.4 |
Redundancy | 5.6 | 6.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |