6LF7
Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite and hydrogen peroxide at 1.79 A resolution.
Replaces: 4N7AExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2013-06-21 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.881, 80.731, 75.139 |
Unit cell angles | 90.00, 101.53, 90.00 |
Refinement procedure
Resolution | 27.214 - 1.794 |
Rwork | 0.231 |
R-free | 0.29660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4N7A |
RMSD bond length | 0.008 |
RMSD bond angle | 1.664 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.214 | 1.840 |
High resolution limit [Å] | 1.790 | 1.790 |
Number of reflections | 56910 | 4329 |
<I/σ(I)> | 7.2 | 3.5 |
Completeness [%] | 96.4 | 84.83 |
Redundancy | 8.3 | 4.6 |
CC(1/2) | 0.940 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Sodium nitrate, PEG, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |