5NLQ
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 | 125.170, 125.170, 125.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.13936 |
| Rwork | 0.138 |
| R-free | 0.17179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ach |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.898 |
| 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 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmeas | 0.114 | 1.670 |
| Number of reflections | 53847 | 3782 |
| <I/σ(I)> | 16.84 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 10.41 | 9.64 |
| CC(1/2) | 0.998 | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 4.4 M NaCl 0.1 M citric acid, pH4.5 (soaked in pH 5.5) |
