6KY7
Crystal structure of yak lactoperoxidase at 2.27 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 1 21 1 |
Unit cell lengths | 54.080, 80.640, 76.130 |
Unit cell angles | 90.00, 102.80, 90.00 |
Refinement procedure
Resolution | 52.790 - 2.270 |
Rwork | 0.196 |
R-free | 0.26630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bxi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.593 |
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] | 52.792 | 2.340 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 29600 | 2695 |
<I/σ(I)> | 7.6 | 1.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.994 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M AMMONIUM IODIDE, 20% PEG 3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, 298K |