5PBF
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09645a
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 | 81.451, 96.521, 57.968 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.980 - 1.801 |
R-factor | 0.1841 |
Rwork | 0.182 |
R-free | 0.21330 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3g0l |
RMSD bond length | 0.007 |
RMSD bond angle | 1.043 |
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] | 28.980 | 28.980 | 1.840 |
High resolution limit [Å] | 1.800 | 8.630 | 1.800 |
Rmerge | 0.077 | 0.036 | 0.685 |
Rmeas | 0.084 | 0.039 | 0.750 |
Rpim | 0.033 | 0.015 | 0.300 |
Total number of observations | 136847 | 1368 | 6439 |
Number of reflections | 21028 | ||
<I/σ(I)> | 14.7 | 41.9 | 2.1 |
Completeness [%] | 97.7 | 97.5 | 82.9 |
Redundancy | 6.5 | 6.1 | 5.7 |
CC(1/2) | 0.998 | 0.998 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 30% PEG600 -- 0.1M MES pH 6.0 |