2PCA
Crystal structure of PH0725 from Pyrococcus horikoshii OT3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-20 |
Detector | RIGAKU JUPITER |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 105.079, 105.079, 140.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.150 - 2.000 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.22900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1wng |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
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] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.099 | 0.497 |
Number of reflections | 53695 | |
<I/σ(I)> | 8.2 | 3.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.1 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | oil microbatch | 5.5 | 295 | 3.86M Sodium formate, 0.1M Acetate, pH5.5, oil microbatch, temperature 295K |