5GLS
Structure of bovine Lactoperoxidase with a partially modified covalent bond with heme moiety
Replaces: 4S0YExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.005, 79.834, 76.126 |
| Unit cell angles | 90.00, 102.30, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.930 |
| R-factor | 0.19459 |
| Rwork | 0.192 |
| R-free | 0.24548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4S0Y |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.092 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 47548 | |
| <I/σ(I)> | 24.2 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Iodide, PEG, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
