Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 119.973, 119.973, 118.099 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.030 - 2.000 |
R-factor | 0.1693 |
Rwork | 0.168 |
R-free | 0.20030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sft |
RMSD bond length | 0.015 |
RMSD bond angle | 1.448 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 23.030 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.083 |
Number of reflections | 66748 |
<I/σ(I)> | 21.3 |
Completeness [%] | 99.6 |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277 | 1.2M Na Citrate, 0.1M MES, 10% GLYCEROL, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |