7D52
Crystal structure of yak lactoperoxidase with a disordered propionic group of heme moiety at 2.20 A resolution
Replaces: 6L4FExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.980, 85.080, 98.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.274 - 2.200 |
Rwork | 0.190 |
R-free | 0.24980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bxi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.522 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.000 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 35006 | 2333 |
<I/σ(I)> | 10.2 | 3.1 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 12 | 11 |
CC(1/2) | 0.993 | 0.967 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M potassium fluoride, 20% PEG 3350 |