6OIN
Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143
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 | 2012-10-08 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.340, 56.730, 121.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 121.790 - 1.700 |
R-factor | 0.1984 |
Rwork | 0.197 |
R-free | 0.22048 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 2.354 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.790 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rpim | 0.029 | 0.190 |
Number of reflections | 36070 | 3539 |
<I/σ(I)> | 16 | 3.7 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 292 | 20% PEG 3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0 |