3KEB
Thiol peroxidase from Chromobacterium violaceum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.630, 59.387, 93.484 |
| Unit cell angles | 90.00, 98.30, 90.00 |
Refinement procedure
| Resolution | 43.000 - 1.800 |
| R-factor | 0.207 |
| Rwork | 0.206 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q98 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.732 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.087 | 0.502 |
| Number of reflections | 74165 | |
| <I/σ(I)> | 8.2 | 2.13 |
| Completeness [%] | 99.0 | 88.5 |
| Redundancy | 4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 20% PEG-3350, 0.2 M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
