2P9D
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 | 2006-11-13 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 104.869, 104.869, 140.353 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.780 - 2.100 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.23500 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 1wng |
RMSD bond angle | 0.007 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.059 | 0.488 |
Number of reflections | 46325 | |
<I/σ(I)> | 13.3 | 6.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.6 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.5 | 291 | 3.85M Sodium formate, 0.1M Sodium acetate, pH 5.5, MICROBATCH, temperature 291K |