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 |
