2VO2
Crystal structure of soybean ascorbate peroxidase mutant W41A subjected to low dose X-rays
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-03 |
Detector | ADSC CCD |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 82.057, 82.057, 75.631 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.690 - 1.900 |
R-factor | 0.177 |
Rwork | 0.174 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 9GGN |
RMSD bond length | 0.016 |
RMSD bond angle | 1.507 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.110 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.030 | 0.140 |
Number of reflections | 17935 | |
<I/σ(I)> | 6.2 | 0.9 |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.55 | 3.604 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.3 | pH 8.3 |