4FDQ
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 | 96.230, 96.230, 98.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.120 - 1.600 |
R-factor | 0.15392 |
Rwork | 0.153 |
R-free | 0.17945 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vka |
RMSD bond length | 0.030 |
RMSD bond angle | 2.342 |
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] | 48.120 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.077 | 0.433 |
Number of reflections | 57998 | |
<I/σ(I)> | 13.9 | 3.2 |
Completeness [%] | 98.3 | 97.1 |
Redundancy | 4.3 | 4.3 |
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 |