Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-06-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.819, 51.275, 58.006 |
Unit cell angles | 90.00, 101.19, 90.00 |
Refinement procedure
Resolution | 14.860 - 1.448 |
R-factor | 0.1854 |
Rwork | 0.184 |
R-free | 0.21460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.844 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.225 | |
Number of reflections | 35356 | |
<I/σ(I)> | 2.6 | |
Completeness [%] | 100.0 | 94.2 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 13% (w/v) PEG 3350, 0.1 M HEPES pH 7.5 and 100 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K |