3MQM
Crystal Structure of the Bromodomain of human ASH1L
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9762 |
Spacegroup name | P 65 |
Unit cell lengths | 69.590, 69.590, 151.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.140 - 2.540 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 2NXB 2oo1 2oss 2ouo 2rfj 3dai 3d7c 3dwy |
RMSD bond length | 0.014 |
RMSD bond angle | 1.375 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.140 | 2.680 |
High resolution limit [Å] | 2.540 | 2.540 |
Rmerge | 0.090 | 0.760 |
Number of reflections | 13718 | |
<I/σ(I)> | 10.8 | 2.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.5 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.15M NaNO3 20% PEG3350 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |