3W36
Crystal structure of holo-type bacterial Vanadium-dependent chloroperoxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.530, 135.090, 159.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.410 - 1.970 |
R-factor | 0.20649 |
Rwork | 0.205 |
R-free | 0.24304 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w35 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.857 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.030 | 1.860 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 112058 | |
Completeness [%] | 90.6 | 70.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES-Na, 0.3M ammonium acetate, 8% PEG 8000, 2mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |