6KMB
Crystal structure of Sth1 bromodomain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 61 |
Unit cell lengths | 108.855, 108.855, 110.928 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.631 - 2.400 |
R-factor | 0.2006 |
Rwork | 0.198 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2grc |
RMSD bond length | 0.004 |
RMSD bond angle | 0.610 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 35.600 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.080 | 0.034 | 0.713 |
Rmeas | 0.084 | 0.036 | 0.751 |
Rpim | 0.026 | 0.011 | 0.234 |
Total number of observations | 299963 | ||
Number of reflections | 29241 | 1510 | 1442 |
<I/σ(I)> | 7.9 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 10.3 | 10 | 10.2 |
CC(1/2) | 0.999 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M sodium formate, pH 7.0, 20% w/v PEG 3350 |