6PG3
WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95370 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 112.825, 46.850, 129.154 |
Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
Resolution | 43.630 - 2.040 |
R-factor | 0.17459 |
Rwork | 0.173 |
R-free | 0.20617 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h9l |
RMSD bond length | 0.009 |
RMSD bond angle | 1.392 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.630 | 2.100 |
High resolution limit [Å] | 2.040 | 2.040 |
Number of reflections | 39721 | 2912 |
<I/σ(I)> | 10.3 | 2.7 |
Completeness [%] | 99.6 | 94.8 |
Redundancy | 7.4 | 7.2 |
CC(1/2) | 0.994 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 281 | 0.182 M ammonium fluoride, 0.1 M sodium cacodylate (pH 5.79), 22.1 %w/v PEG8000 |