4PNX
Crystal structure of the complex of lactoperoxidase with bromo methane at 2.41 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2013-11-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.742, 80.379, 73.177 |
| Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
| Resolution | 71.150 - 2.410 |
| R-factor | 0.22302 |
| Rwork | 0.219 |
| R-free | 0.29910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3OGW |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.619 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.160 | 2.470 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Number of reflections | 23328 | |
| <I/σ(I)> | 16.5 | 2.2 |
| Completeness [%] | 99.3 | 92.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
