4N65
Crystal structure of paAzoR1 bound to anthraquinone-2-sulphonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.890, 81.890, 109.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.346 - 1.816 |
| R-factor | 0.1635 |
| Rwork | 0.162 |
| R-free | 0.18510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.315 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.919 | 43.308 | 1.900 |
| High resolution limit [Å] | 1.815 | 5.690 | 1.815 |
| Rmerge | 0.030 | 0.351 | |
| Total number of observations | 6781 | 14312 | |
| Number of reflections | 37894 | ||
| <I/σ(I)> | 15.5 | 10.2 | 2.2 |
| Completeness [%] | 94.9 | 97.9 | 66 |
| Redundancy | 5.1 | 5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 1.6 M ammonium sulphate, 0.1 M HEPES pH 7.5, vapor diffusion, temperature 298K |
