5POL
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10971a
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 | 55.519, 56.321, 101.443 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.456 - 1.620 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22510 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5amf |
RMSD bond length | 0.007 |
RMSD bond angle | 0.920 |
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] | 21.456 | 21.460 | 1.720 |
High resolution limit [Å] | 1.620 | 4.860 | 1.620 |
Rmerge | 0.103 | 0.042 | 0.691 |
Rmeas | 0.113 | 0.046 | 0.765 |
Rpim | 0.046 | 0.018 | 0.322 |
Total number of observations | 237185 | 10721 | 34271 |
Number of reflections | 40550 | ||
<I/σ(I)> | 9.8 | 27.3 | 2.4 |
Completeness [%] | 98.6 | 98.8 | 97.7 |
Redundancy | 5.8 | 6.4 | 5.4 |
CC(1/2) | 0.997 | 0.998 | 0.578 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |