7DE5
Crystal structure of yak lactoperoxidase at 1.55 A resolution.
Replaces: 7CH2Replaces: 6L2VReplaces: 7BYZExperimental 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 | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.910, 78.980, 67.820 |
Unit cell angles | 90.00, 92.96, 90.00 |
Refinement procedure
Resolution | 43.247 - 1.550 |
Rwork | 0.186 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7BYZ |
RMSD bond length | 0.010 |
RMSD bond angle | 1.622 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.530 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.107 | 0.934 |
Rpim | 0.067 | 0.604 |
Number of reflections | 81152 | 5535 |
<I/σ(I)> | 7.6 | 1.1 |
Completeness [%] | 98.4 | 92.8 |
Redundancy | 3.3 | |
CC(1/2) | 0.990 | 0.440 |
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 |