1Q98
Structure of a Thiol Peroxidase from Haemophilus influenzae Rd
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-27 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.033, 43.667, 104.587 |
| Unit cell angles | 90.00, 97.34, 90.00 |
Refinement procedure
| Resolution | 18.910 - 1.900 |
| R-factor | 0.2251 |
| Rwork | 0.225 |
| R-free | 0.26700 |
| Structure solution method | SIRAS ON HG |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.039 | 0.162 |
| Number of reflections | 24220 | |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 97.0 | 96.4 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 19-24% PEGv 4000, 0.1M Ammonium Acetate, 0.1M Sodium Acetate pH 4.5, 5%Ethylene Glycol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
