Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.7679 |
Spacegroup name | P 3 |
Unit cell lengths | 118.400, 118.400, 140.166 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.149 - 1.750 |
R-factor | 0.1345 |
Rwork | 0.134 |
R-free | 0.16250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4RMX |
RMSD bond length | 0.009 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3092: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.090 | 0.868 |
Rmeas | 0.101 | 0.975 |
Number of reflections | 443661 | 70838 |
<I/σ(I)> | 15.16 | 1.8 |
Completeness [%] | 99.7 | 98.3 |
Redundancy | 5.1 | 4.8 |
CC(1/2) | 0.999 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 291 | 10% PEG 8000, 0.2M SrCl2, 0.1M MES pH 6.0 |