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 |
