2CWL
Crystal structure of manganese-free form of pseudocatalase from Thermus thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-29 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 3 |
Unit cell lengths | 131.360, 131.360, 131.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.790 - 1.650 |
R-factor | 0.166 |
Rwork | 0.166 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.440 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.069 | 0.308 |
Number of reflections | 90305 | |
<I/σ(I)> | 21.1 | 6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 19.14 | 9.36 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 40% PEG400, 0.1M Tris-HCl, 0.25M Li sulfate, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |