6L9T
Crystal structure of the complex of bovine lactoperoxidase with OSCN at 1.89 A resolution
This is a non-PDB format compatible entry.
Replaces: 3OGWExperimental 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 | 2010-05-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.990, 79.930, 76.310 |
| Unit cell angles | 90.00, 102.18, 90.00 |
Refinement procedure
| Resolution | 35.325 - 1.890 |
| Rwork | 0.205 |
| R-free | 0.26370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ogw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.745 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.590 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 50831 | 3581 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Iodide, PEG3350, pH6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
