4QSU
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine
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 | 2013-05-10 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.120, 79.120, 138.060 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.330 - 1.900 |
R-factor | 0.16897 |
Rwork | 0.167 |
R-free | 0.20342 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb id: 3DAI |
RMSD bond length | 0.015 |
RMSD bond angle | 1.650 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.510 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.098 | 0.854 |
Number of reflections | 20842 | |
<I/σ(I)> | 12.7 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.3 | 7.3 |
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 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |