7PL0
Crystal structure of a DyP-type peroxidase 5G5 variant from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-18 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9680 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.852, 114.760, 116.819 |
Unit cell angles | 90.00, 104.00, 90.00 |
Refinement procedure
Resolution | 61.960 - 2.100 |
R-factor | 0.1912 |
Rwork | 0.191 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7pkx |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.960 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.122 | 0.111 |
Rpim | 0.058 | 0.352 |
Number of reflections | 92499 | 15038 |
<I/σ(I)> | 9.02 | |
Completeness [%] | 97.1 | |
Redundancy | 3.1 | |
CC(1/2) | 0.996 | 0.478 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris-HCl pH 8.5, 25% (w/v) PEG 4K, 0.2 M magnesium chloride |