2ZBN
Crystal structure of PH1033 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 | IMAGE PLATE |
Collection date | 2005-07-22 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.035, 95.035, 44.536 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.170 - 2.000 |
R-factor | 0.244 |
Rwork | 0.244 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wmm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.068 | 0.585 |
Number of reflections | 15961 | |
<I/σ(I)> | 9.9 | 4.2 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 9.6 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.7 | 295 | 22.5% PEG 4K, 15% Glycerol, 0.1M citrate buffer, pH 5.7, oil microbatch, temperature 295K |