6M7E
Structure of bovine lactoperoxidase with multiple iodide ions in the distaline heme cavity.
Replaces: 4GN6Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 81 |
| Detector technology | CCD |
| Collection date | 2010-11-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.810, 80.673, 74.442 |
| Unit cell angles | 90.00, 103.07, 90.00 |
Refinement procedure
| Resolution | 43.953 - 2.420 |
| Rwork | 0.184 |
| R-free | 0.26870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4GN6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.474 |
| 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] | 43.990 | 2.480 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Number of reflections | 22380 | 1766 |
| <I/σ(I)> | 3.4 | 2.4 |
| Completeness [%] | 93.8 | 96 |
| Redundancy | 4.3 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Iodide, PEG 3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, |
