4PKL
Bromodomain of Trypanosoma brucei BDF2 With IBET-151
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.869, 62.091, 62.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.059 - 1.251 |
R-factor | 0.1695 |
Rwork | 0.169 |
R-free | 0.17920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.084 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.290 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.946 | |
Number of reflections | 60028 | |
<I/σ(I)> | 37.4 | 2.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | sodium potassium phosphate pH 6.6, acetate pH 4.1, 1-propanol |