6G5P
Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.855, 45.429, 83.715 |
| Unit cell angles | 90.00, 101.77, 90.00 |
Refinement procedure
| Resolution | 28.589 - 1.350 |
| R-factor | 0.1392 |
| Rwork | 0.138 |
| R-free | 0.17380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Internal |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.402 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.590 | 1.380 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.030 | 0.547 |
| Rmeas | 0.041 | 0.740 |
| Rpim | 0.028 | 0.495 |
| Number of reflections | 101393 | 7160 |
| <I/σ(I)> | 16 | 1.5 |
| Completeness [%] | 97.8 | 93.3 |
| Redundancy | 3.3 | 2.7 |
| CC(1/2) | 0.998 | 0.615 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | 17-23% PEG20K, 0.1M MES 6.1, 2-4% Ethylene glycol, 4 days |
