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 | 2012-02-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0718 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 53.602, 53.602, 142.441 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.420 - 2.150 |
R-factor | 0.21298 |
Rwork | 0.210 |
R-free | 0.27597 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3utk |
RMSD bond length | 0.016 |
RMSD bond angle | 1.617 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.480 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.137 | 0.804 |
Number of reflections | 7209 | |
<I/σ(I)> | 9.1 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.9 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2% PEG 400, 0.1M HEPES sodium, 2M ammonium sulphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |