5NLR
Auxiliary activity 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.03841 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 124.920, 124.920, 124.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.17507 |
| Rwork | 0.173 |
| R-free | 0.21095 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ach |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.910 |
| 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 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.238 | 1.640 |
| Number of reflections | 23096 | 1680 |
| <I/σ(I)> | 12.31 | 1.85 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.2 | 11.39 |
| CC(1/2) | 0.996 | 0.498 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 298 | 3.5 M NaCl 0.1 M citric acid, pH3.5 |
