4BJX
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.780, 47.906, 58.757 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.040 - 1.590 |
| R-factor | 0.15803 |
| Rwork | 0.157 |
| R-free | 0.18518 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.066 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.760 | 1.680 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.020 | 0.050 |
| Number of reflections | 17351 | |
| <I/σ(I)> | 55.3 | 21.1 |
| Completeness [%] | 98.6 | 91.2 |
| Redundancy | 6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | 20% PEG3350, 0.2M NAK,TARTRATE, 0.1M BISTRISPROPANE PH 6.5, 20C |
