4C0X
The crystal strucuture of PpAzoR in complex with anthraquinone-2- sulfonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-07 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 72.712, 94.947, 146.511 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.474 - 1.499 |
| R-factor | 0.1698 |
| Rwork | 0.169 |
| R-free | 0.19250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c0w |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.849 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.500 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.290 |
| Number of reflections | 40377 | |
| <I/σ(I)> | 8.5 | 2.7 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 7.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.8 M AMMONIUM SULFATE, 0.1 M HEPES, PH 7.0, 4% (V:V) PEG400 |
