Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-01-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 124.000, 102.500, 167.302 |
Unit cell angles | 90.00, 101.64, 90.00 |
Refinement procedure
Resolution | 28.594 - 2.500 |
R-factor | 0.2029 |
Rwork | 0.202 |
R-free | 0.24630 |
Structure solution method | SIR |
RMSD bond length | 0.015 |
RMSD bond angle | 1.663 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MLPHARE |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 2.589 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 127922 | |
<I/σ(I)> | 11 | |
Completeness [%] | 88.0 | |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | sodium chloride, b-octylglucopyranoside, PEG8000, MPD, sodium azide, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |