6OWI
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.370, 56.790, 121.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.892 - 1.750 |
R-factor | 0.1977 |
Rwork | 0.196 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6oin |
RMSD bond length | 0.017 |
RMSD bond angle | 1.405 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1-2575_1496:)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.700 | 1.813 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmeas | 0.055 | |
Rpim | 0.039 | 0.236 |
Number of reflections | 31523 | 3156 |
<I/σ(I)> | 11.4 | 3.04 |
Completeness [%] | 94.8 | 96.37 |
Redundancy | 2 | 2 |
CC(1/2) | 0.997 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 20% PEG3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0 |