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 |
