6TPY
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.694, 43.252, 79.181 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.590 - 1.800 |
Rwork | 0.199 |
R-free | 0.25490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | not published |
RMSD bond length | 0.006 |
RMSD bond angle | 1.296 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.180 | 1.940 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 12890 | 2595 |
<I/σ(I)> | 10.5 | 2.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.1 | 6.1 |
CC(1/2) | 0.996 | 0.781 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M BTP pH8.5, 20% PEG3350 |