5ABN
CRYSTAL STRUCTURE ANALYSIS OF FUNGAL VERSATILE PEROXIDASE FROM PLEUROTUS ERYNGII. MUTANT VPi. MUTATED RESIDUES D69S, T70D, S86E, D146T, Q202L, H232E, Q239R AND S301K.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-06 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.547, 68.498, 84.916 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.499 - 2.194 |
R-factor | 0.213 |
Rwork | 0.206 |
R-free | 0.27480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fmu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.337 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.090 | 0.770 |
Number of reflections | 14447 | |
<I/σ(I)> | 18.6 | 3.2 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 12.7 | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M SODIUM MES BUFFER AT PH 6.5, 25% PEG 4000, 0.2 M MGCL2 |