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 |