4QSS
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-09-06 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.444, 79.444, 139.401 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.160 - 2.000 |
R-factor | 0.16076 |
Rwork | 0.159 |
R-free | 0.19204 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb id: 3DAI |
RMSD bond length | 0.016 |
RMSD bond angle | 1.528 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.250 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.111 | 0.869 |
Number of reflections | 18023 | |
<I/σ(I)> | 15.3 | 2 |
Completeness [%] | 99.1 | 97 |
Redundancy | 6.4 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277.15 | apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |