3W35
Crystal structure of apo-type bacterial Vanadium-dependent chloroperoxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.711, 137.430, 156.421 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.810 - 2.400 |
R-factor | 0.21446 |
Rwork | 0.211 |
R-free | 0.27165 |
Structure solution method | MIR |
RMSD bond length | 0.014 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.810 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 49839 | |
Completeness [%] | 97.6 | 93.3 |
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 |