5PNZ
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10162a
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 | 55.289, 56.217, 101.888 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.070 - 1.557 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.21270 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5amf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.930 |
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] | 29.070 | 29.070 | 1.600 |
High resolution limit [Å] | 1.560 | 6.960 | 1.560 |
Rmerge | 0.056 | 0.021 | 0.989 |
Rmeas | 0.061 | 0.023 | 1.077 |
Rpim | 0.024 | 0.009 | 0.420 |
Total number of observations | 300826 | 3646 | 20683 |
Number of reflections | 46116 | ||
<I/σ(I)> | 19.8 | 70.3 | 2.2 |
Completeness [%] | 99.7 | 98.8 | 97.6 |
Redundancy | 6.5 | 6.1 | 6.3 |
CC(1/2) | 1.000 | 1.000 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M bis-tris pH 7.0 -- 30% PEG3350 |