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 | 2012-10-02 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9801 |
Spacegroup name | P 1 |
Unit cell lengths | 63.620, 68.480, 87.070 |
Unit cell angles | 109.38, 92.66, 117.66 |
Refinement procedure
Resolution | 49.380 - 2.330 |
R-factor | 0.20479 |
Rwork | 0.202 |
R-free | 0.25265 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ivp |
RMSD bond length | 0.014 |
RMSD bond angle | 1.662 |
Data reduction software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.380 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.570 | |
Number of reflections | 55653 | |
<I/σ(I)> | 11 | 2.46 |
Completeness [%] | 97.9 | 95.69 |
Redundancy | 3.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 30% PEG4000, 0.3M Lithium Sulfate, 0.1 M Sodium Acetate and 0.1 M HEPES |