3DAI
Crystal structure of the bromodomain of the human ATAD2
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 | 2008-04-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.616, 79.616, 137.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.810 - 1.950 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.316 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.810 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.085 | 0.779 |
| Number of reflections | 19492 | |
| <I/σ(I)> | 20.5 | 2.9 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 10.8 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
