5NLS
Auxiliary activity 9
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 | PIXEL |
| Collection date | 2015-09-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 126.300, 126.300, 126.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.18323 |
| Rwork | 0.181 |
| R-free | 0.21445 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ach |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.502 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmeas | 0.118 | 1.810 |
| Number of reflections | 34937 | 2502 |
| <I/σ(I)> | 11.53 | 1.02 |
| Completeness [%] | 99.1 | 98.4 |
| Redundancy | 10.36 | 10.07 |
| CC(1/2) | 0.997 | 0.404 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 298 | 3.2 M NaCl 0.1 M citric acid, pH3.5 (soaked in pH 5.5) |
