2HUQ
Crystal structure of PH0725 from Pyrococcus horikoshii OT3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-01-30 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 104.754, 104.754, 138.866 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.700 - 2.200 |
R-factor | 0.216 |
Rwork | 0.216 |
R-free | 0.23900 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 1vce |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.055 | 0.490 |
Number of reflections | 39936 | |
<I/σ(I)> | 12.8 | 5.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.6 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.5 | 295 | Sodium Formate, Acetate, pH 5.5, microbatch, temperature 295K |