7O2B
X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.024, 66.171, 107.471 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.400 - 2.030 |
Rwork | 0.204 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | previous inhouse structures |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.700 | 2.150 |
High resolution limit [Å] | 2.030 | 2.030 |
Number of reflections | 29198 | 4630 |
<I/σ(I)> | 10.2 | |
Completeness [%] | 99.4 | |
Redundancy | 5.4 | |
CC(1/2) | 0.995 | 0.745 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 8 % PEG 3350, 50 mM magnesium formate, 100 mM Tris pH 7.5 |