5PB9
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09521a
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 | 2013-03-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.756, 96.541, 57.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.940 - 1.782 |
R-factor | 0.1758 |
Rwork | 0.174 |
R-free | 0.20510 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3g0l |
RMSD bond length | 0.008 |
RMSD bond angle | 1.064 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | REFMAC |
Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.940 | 29.940 | 1.820 |
High resolution limit [Å] | 1.780 | 8.910 | 1.780 |
Rmerge | 0.075 | 0.032 | 0.781 |
Rmeas | 0.082 | 0.035 | 0.860 |
Rpim | 0.032 | 0.014 | 0.351 |
Total number of observations | 139341 | 1285 | 5165 |
Number of reflections | 21809 | ||
<I/σ(I)> | 12.8 | 38.4 | 1.5 |
Completeness [%] | 98.1 | 97.8 | 77.6 |
Redundancy | 6.4 | 6.1 | 5.2 |
CC(1/2) | 0.998 | 0.997 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 30% PEG600 -- 0.1M MES pH 6.0 |