2AZP
Crystal Structure of PA1268 Solved by Sulfur SAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-07-22 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.358, 90.025, 104.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.740 - 2.130 |
R-factor | 0.175 |
Rwork | 0.175 |
R-free | 0.20900 |
Structure solution method | SULFUR SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.740 | 2.200 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.035 | 0.081 |
Number of reflections | 31848 | |
<I/σ(I)> | 52.15 | 7.12 |
Completeness [%] | 82.4 | 19.6 |
Redundancy | 11.9 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 293 | PEG 5K, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.50 |