7ANV
Mutational and structural analysis of an ancestral D-type dye decolorizing peroxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-14 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.085, 69.107, 114.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.150 - 1.650 |
R-factor | 0.1625 |
Rwork | 0.161 |
R-free | 0.19610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fsk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.686 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.150 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.065 | 0.759 |
Rmeas | 0.068 | 0.874 |
Rpim | 0.020 | 0.422 |
Total number of observations | 570286 | |
Number of reflections | 55396 | 2057 |
<I/σ(I)> | 18.2 | |
Completeness [%] | 97.0 | 75.2 |
Redundancy | 10.3 | 3.9 |
CC(1/2) | 0.999 | 0.682 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 2 M Ammonium sulfate, 0.1 M MES |