6DYA
WDR5 in complex with a WIN site inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.909, 86.793, 41.985 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.396 - 2.560 |
R-factor | 0.1867 |
Rwork | 0.182 |
R-free | 0.23030 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.773 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_1760) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.570 |
High resolution limit [Å] | 2.530 | 6.860 | 2.530 |
Rmerge | 0.089 | 0.050 | 0.509 |
Rmeas | 0.099 | 0.056 | 0.563 |
Rpim | 0.041 | 0.025 | 0.236 |
Number of reflections | 9905 | 563 | 473 |
<I/σ(I)> | 7.3 | ||
Completeness [%] | 99.8 | 98.9 | 100 |
Redundancy | 5.5 | 4.7 | 5.6 |
CC(1/2) | 0.997 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris pH 6.0, 0.2 M ammonium acetate, 28% to 32% PEG3350 |