5NRV
Human DNMT3B PWWP domain in complex with 6-dipropylamino-1-hexanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9801 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 73.550, 73.550, 155.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.173 - 2.075 |
R-factor | 0.2089 |
Rwork | 0.207 |
R-free | 0.24350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qkj |
RMSD bond length | 0.007 |
RMSD bond angle | 1.097 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.173 | 2.210 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.052 | 0.658 |
Number of reflections | 30107 | 4748 |
<I/σ(I)> | 21.38 | 3.17 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 7.3 | 7.3 |
CC(1/2) | 0.999 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M MES,0.2 M Li2SO4, 23-33% PEG 3350 |