4QQE
Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-01 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97959 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 80.896, 85.267, 40.209 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.1749 |
Rwork | 0.173 |
R-free | 0.21780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ia9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.399 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.107 | 0.050 | 0.872 |
Number of reflections | 26561 | ||
<I/σ(I)> | 7.1 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 7.8 | 7.1 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 22% PEG3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |