4C14
The crystal strucuture of PpAzoR in complex with reactive black 5 (RB5)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 72.674, 94.971, 146.949 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.337 - 1.900 |
R-factor | 0.1862 |
Rwork | 0.185 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c0w |
RMSD bond length | 0.005 |
RMSD bond angle | 1.687 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.500 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.080 | 0.330 |
Number of reflections | 20109 | |
<I/σ(I)> | 5.3 | 2.3 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 7.1 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7.0 |