6PDD
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41
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 | 2016-06-11 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.177, 57.005, 122.186 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.195 - 2.150 |
R-factor | 0.1729 |
Rwork | 0.171 |
R-free | 0.21190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ba2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.038 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1-2575_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.195 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rpim | 0.039 | 0.208 |
Number of reflections | 17963 | 1602 |
<I/σ(I)> | 17.8 | 3.7 |
Completeness [%] | 98.6 | 89.6 |
Redundancy | 7.9 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5 |