5NSF
Structure of AzuAla
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.140, 70.633, 77.624 |
| Unit cell angles | 85.70, 89.75, 83.42 |
Refinement procedure
| Resolution | 46.272 - 2.426 |
| R-factor | 0.1853 |
| Rwork | 0.182 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u7d |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.891 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1-2155_1168: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.272 |
| High resolution limit [Å] | 2.426 |
| Number of reflections | 153410 |
| <I/σ(I)> | 22.88 |
| Completeness [%] | 93.0 |
| Redundancy | 3.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | Cacl2, PEG 400 |
