5NV7
Human DNMT3B PWWP domain in complex with N1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine
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 | 2015-12-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978570 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 74.680, 74.680, 157.580 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.773 - 2.568 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qkj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.152 |
| 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] | 40.773 | 2.720 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.053 | 0.640 |
| Number of reflections | 16831 | 3098 |
| <I/σ(I)> | 25.5 | 3.46 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.8 | 9.7 |
| CC(1/2) | 1.000 | 0.930 |
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 |
