7PKX
Crystal structure of a DyP-type peroxidase from Bacillus subtilis in P3121 space group
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 | 2019-11-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.271, 95.271, 181.244 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 75.092 - 2.491 |
R-factor | 0.1931 |
Rwork | 0.193 |
R-free | 0.19310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4grc |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MoRDa |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.092 | 2.590 |
High resolution limit [Å] | 2.491 | 2.491 |
Rmeas | 0.168 | |
Rpim | 0.056 | |
Number of reflections | 33961 | 5374 |
<I/σ(I)> | 10.37 | |
Completeness [%] | 99.7 | |
Redundancy | 6.3 | |
CC(1/2) | 0.997 | 0.306 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.05 M potassium phosphate monobasic and 15% (w/v) PEG 8K |