4FCN
The crystal structures of several mutants of pleurotus eryngii versatile peroxidase
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 | 2007-04-20 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 0.933 |
Spacegroup name | I 41 |
Unit cell lengths | 96.338, 96.338, 98.943 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.170 - 1.700 |
R-factor | 0.14793 |
Rwork | 0.147 |
R-free | 0.17378 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vka |
RMSD bond length | 0.035 |
RMSD bond angle | 2.519 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.170 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.083 | 0.495 |
Number of reflections | 48216 | |
<I/σ(I)> | 12.9 | 3 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 1.4 M ammonium sulfate, 0.1 M sodium cacodilate and 2% 1,3-propanediol, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |