9M0I
Structure of the intermediate of lactoperoxidase formed with thiocynate and hydrogen peroxidase at 1.99 A resolution.
Replaces: 6LCOReplaces: 4NT3Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2013-09-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.270, 80.441, 76.599 |
| Unit cell angles | 90.00, 103.20, 90.00 |
Refinement procedure
| Resolution | 39.105 - 1.995 |
| Rwork | 0.209 |
| R-free | 0.26450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.603 |
| 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] | 39.110 | 2.050 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 40499 | 2891 |
| <I/σ(I)> | 9.8 | 3.9 |
| Completeness [%] | 92.6 | |
| Redundancy | 4.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Iodide, PEG 3350 |
