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 |