1PSQ
Structure of a probable thiol peroxidase from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9798 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.005, 49.897, 81.660 |
| Unit cell angles | 90.00, 116.85, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.300 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.24900 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 16610 | |
| Completeness [%] | 100.0 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.033M ammonium sulfate, 1.2M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
