6OIO
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60
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 | 46.480, 56.820, 122.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 122.110 - 1.700 |
R-factor | 0.19419 |
Rwork | 0.193 |
R-free | 0.22092 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.367 |
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] | 122.110 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rpim | 0.028 | 0.183 |
Number of reflections | 36244 | 3516 |
<I/σ(I)> | 16.2 | 4.1 |
Completeness [%] | 99.5 | 98.65 |
Redundancy | 6.9 | 6.8 |
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 |