8Y9X
Crystal structure of the complex of lactoperoxidase with four inorganic substrates, SCN, I, Br and Cl
Replaces: 8K5MReplaces: 3S4FExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.350, 80.332, 73.391 |
| Unit cell angles | 90.00, 103.94, 90.00 |
Refinement procedure
| Resolution | 43.521 - 2.000 |
| Rwork | 0.151 |
| R-free | 0.19510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8K5M |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.684 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.521 | 2.050 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 39294 | 3044 |
| <I/σ(I)> | 29.8 | 4.3 |
| Completeness [%] | 96.7 | 77 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 0.2 M Ammonium iodide, 20%(w/v) PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298 K |
