7Y3U
Crystal structure of the complex of Lactoperoxidase with Nitric oxide at 2.50A resolution
Replaces: 6LRNExperimental 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 | 2019-12-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97947 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.731, 93.173, 82.319 |
Unit cell angles | 90.00, 91.20, 90.00 |
Refinement procedure
Resolution | 48.864 - 2.500 |
Rwork | 0.219 |
R-free | 0.27740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6LRN |
RMSD bond length | 0.006 |
RMSD bond angle | 1.506 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.911 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.078 | 0.806 |
Number of reflections | 42834 | 2923 |
<I/σ(I)> | 7.8 | 1.2 |
Completeness [%] | 99.0 | 98.7 |
Redundancy | 3.9 | 3.9 |
CC(1/2) | 0.997 | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M cacl2, 20% PEG 3350 |