6L32
Crystal structure of potassium induced heme modification in yak lactoperoxidase at 2.30 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-09-09 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97947 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.700, 84.710, 98.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.110 - 2.300 |
Rwork | 0.190 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bxi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.651 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.114 | 2.390 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 30425 | 3148 |
<I/σ(I)> | 5.9 | 1.9 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.8 | 6.5 |
CC(1/2) | 0.980 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M potassium fluoride, 20% PEG 3350 |