5NLO
Auxiliary activity 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 125.350, 125.350, 125.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.330 |
| R-factor | 0.11621 |
| Rwork | 0.115 |
| R-free | 0.14269 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ach |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.028 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.360 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmeas | 0.098 | 2.620 |
| Number of reflections | 77258 | 5639 |
| <I/σ(I)> | 20.13 | 1.37 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.66 | 21.88 |
| CC(1/2) | 1.000 | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 3.6M NaCl 0.1 M citric acid pH4.5 (soaked in pH 5.5) |
