Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 399.500, 399.500, 332.860 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 345.977 - 3.090 |
R-factor | 0.2584 |
Rwork | 0.258 |
R-free | 0.26120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bev |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 345.977 | 3.150 |
High resolution limit [Å] | 3.090 | 3.100 |
Rmerge | 0.354 | 0.904 |
Number of reflections | 233083 | |
<I/σ(I)> | 5 | 0.9 |
Completeness [%] | 78.2 | 31.8 |
Redundancy | 5.4 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1M TRIS PH 8.0, 0.6M AMMONIUM SULFATE, 0.1M MGCL2, 5% (W/V) GLYCEROL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |