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 |
