4QJQ
Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 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 | 2014-04-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.947, 80.356, 75.391 |
| Unit cell angles | 90.00, 102.81, 90.00 |
Refinement procedure
| Resolution | 73.510 - 2.100 |
| R-factor | 0.20819 |
| Rwork | 0.204 |
| R-free | 0.27831 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.665 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.520 | 2.140 |
| High resolution limit [Å] | 2.095 | 2.100 |
| Number of reflections | 36750 | |
| <I/σ(I)> | 28.1 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Sodium nitrate, PEG3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
