2CUN
Crystal structure of Phosphoglycerate Kinase 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 | 2004-10-01 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.854, 123.327, 82.943 |
Unit cell angles | 90.00, 95.42, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vpe |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.068 | 0.300 |
Number of reflections | 58103 | |
<I/σ(I)> | 12.1 | 3.27 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 4.6 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 295 | PEG 6000, MPD, HEPES, pH 7.5, microbatch, temperature 295K |