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 |
