5POX
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11075a
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 | 55.550, 56.330, 101.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.275 - 1.750 |
R-factor | 0.1834 |
Rwork | 0.182 |
R-free | 0.21640 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5amf |
RMSD bond length | 0.007 |
RMSD bond angle | 0.938 |
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] | 49.275 | 49.280 | 1.800 |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.060 | 0.018 | 0.766 |
Rmeas | 0.066 | 0.020 | 0.828 |
Rpim | 0.025 | 0.008 | 0.311 |
Total number of observations | 217844 | 2642 | 16760 |
Number of reflections | 32740 | ||
<I/σ(I)> | 19.9 | 74.7 | 2.7 |
Completeness [%] | 99.4 | 99.1 | 99.6 |
Redundancy | 6.7 | 6 | 6.9 |
CC(1/2) | 0.999 | 1.000 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |