6OWH
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92
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 | 46.560, 57.290, 122.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.058 - 2.000 |
R-factor | 0.1931 |
Rwork | 0.191 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6oin |
RMSD bond length | 0.011 |
RMSD bond angle | 1.232 |
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] | 122.490 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.056 | 0.324 |
Rpim | 0.039 | 0.229 |
Number of reflections | 22844 | 2228 |
<I/σ(I)> | 12.56 | 3.22 |
Completeness [%] | 99.9 | 100 |
Redundancy | 2 | 2 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 20% PEG 3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0 |