5PO6
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10157a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.390, 56.230, 101.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.660 - 1.610 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21080 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5amf |
RMSD bond length | 0.007 |
RMSD bond angle | 0.941 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.6) |
Phasing software | REFMAC |
Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.660 | 48.660 | 1.650 |
High resolution limit [Å] | 1.610 | 7.200 | 1.610 |
Rmerge | 0.059 | 0.029 | 0.690 |
Rmeas | 0.064 | 0.031 | 0.757 |
Rpim | 0.025 | 0.012 | 0.309 |
Total number of observations | 275039 | 3362 | 17851 |
Number of reflections | 41910 | ||
<I/σ(I)> | 17.7 | 52.7 | 2.6 |
Completeness [%] | 99.8 | 99.4 | 99.7 |
Redundancy | 6.6 | 6.1 | 5.9 |
CC(1/2) | 0.999 | 0.999 | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |