6R2L
NYBR1-A2-SLSKILDTV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.210, 99.330, 111.440 |
| Unit cell angles | 90.00, 90.50, 90.00 |
Refinement procedure
| Resolution | 52.210 - 2.300 |
| R-factor | 0.21677 |
| Rwork | 0.214 |
| R-free | 0.26498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.853 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.210 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.207 | 1.089 |
| Rmeas | 0.240 | 1.278 |
| Number of reflections | 50452 | 3747 |
| <I/σ(I)> | 9.7 | |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.984 | 0.522 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 0.2 M NaCl, 0.1 M MES, 20% PEG 6000, pH 6.0 . Condition B07 from Molecular Dimensions PACT premier HT-96/FX-96, MD1-36 |
