2BF0
crystal structure of the rpr of pcf11
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-15 |
Detector | ADSC CCD |
Wavelength(s) | 0.976,0.9792,0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 75.494, 75.494, 56.135 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.300 |
R-factor | 0.26 |
Rwork | 0.258 |
R-free | 0.28200 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.845 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.300 |
Rmerge | 0.060 |
Number of reflections | 7191 |
<I/σ(I)> | 36 |
Completeness [%] | 100.0 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | 25% PEG 4000, 0.1 M TRIS PH 7.0, 0.2 M (NH4)2SO4 AND 10 MM CACL2 |