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 | 2015-01-15 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 77.024, 77.024, 128.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.357 - 2.200 |
R-factor | 0.1817 |
Rwork | 0.179 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bo4 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.995 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 | 0.694 |
Number of reflections | 18322 | |
<I/σ(I)> | 35.99 | 3.46 |
Completeness [%] | 89.9 | 93.5 |
Redundancy | 7.9 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 28% PEG 8000, 0.25 M (NH4)2SO4, 0.1 M imidazole pH 7.8 |