4LZR
Crystal Structure of BRD4(1) bound to Colchicine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-08-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54187 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.360, 43.400, 79.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.705 - 1.850 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.24340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.386 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.710 | 29.295 | 1.630 |
High resolution limit [Å] | 1.550 | 4.890 | 1.550 |
Rmerge | 0.012 | 0.012 | |
Total number of observations | 2805 | 9801 | |
Number of reflections | 10511 | ||
<I/σ(I)> | 7.9 | 12.4 | 0.6 |
Completeness [%] | 89.3 | 97.8 | 90.1 |
Redundancy | 4.1 | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.2 | 293 | 1.4 M Na-K-phosphate, pH 8.2, VAPOR DIFFUSION, temperature 293K |