6FKT
Crystal structure of a dye-decolorizing peroxidase R232A variant from Klebsiella pneumoniae (KpDyP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-17 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.996 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 91.160, 91.160, 247.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 75.222 - 1.860 |
R-factor | 0.169650100112 |
Rwork | 0.168 |
R-free | 0.20738 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fks |
RMSD bond length | 0.004 |
RMSD bond angle | 0.731 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.230 | 1.927 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.113 | 1.701 |
Rmeas | 0.123 | 1.847 |
Rpim | 0.048 | 0.709 |
Number of reflections | 51833 | 4908 |
<I/σ(I)> | 12.11 | 1.2 |
Completeness [%] | 99.3 | 96.57 |
Redundancy | 6.4 | 6.6 |
CC(1/2) | 0.998 | 0.589 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298.15 | 29% w/v PEG 3350, 0.15 M MgCl2, 0.1 M Tris-HCl, pH 8.5 |