7DMR
Crystal structure of potassium induced heme modification in yak lactoperoxidase at 2.20 A resolution
Replaces: 6L41Experimental 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 | 80.240, 85.310, 98.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.606 - 2.200 |
Rwork | 0.190 |
R-free | 0.24270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bxi |
RMSD bond length | 0.009 |
RMSD bond angle | 1.574 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.610 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 35146 | 2386 |
<I/σ(I)> | 9.1 | 2.7 |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 12 | 11 |
CC(1/2) | 0.993 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M potassium fluoride, 20% PEG 3350 |