5NRR
Human DNMT3B PWWP domain in complex with 5-[(2-Hydroxyethyl)(propyl)amino]-1-pentanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978570 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 73.502, 73.502, 159.958 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.874 - 1.700 |
R-factor | 0.1945 |
Rwork | 0.194 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qkj |
RMSD bond length | 0.007 |
RMSD bond angle | 1.085 |
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] | 40.874 | 1.810 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.035 | 0.656 |
Number of reflections | 55899 | 8885 |
<I/σ(I)> | 25.59 | 2.35 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 6.6 | 6.5 |
CC(1/2) | 1.000 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES sodium, 2% v/v Polyethylene glycol 400, 2.0 M Ammonium sulfate |