Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-01-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5478 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 68.974, 68.974, 131.247 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.667 - 2.200 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2H6W |
RMSD bond length | 0.003 |
RMSD bond angle | 0.709 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.667 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.067 | 0.618 |
Number of reflections | 18232 | |
<I/σ(I)> | 16.9 | 2.5 |
Completeness [%] | 96.2 | 95.2 |
Redundancy | 6.3 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 100MM SODIUM CACODYLATE, 1.4M SODIUM ACETATE, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |