2HD9
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 | 2005-06-28 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 39.891, 39.891, 168.481 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.960 - 1.350 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wmm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
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 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.126 | 0.663 |
Number of reflections | 35514 | |
<I/σ(I)> | 6.7 | 3.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.9 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.7 | 295 | PEG4000, citrate, glycerol, molecular sieves 5A, pH 5.7, microbatch, temperature 295K |