7DLQ
CRYSTAL STRUCTURE OF THE COMPLEX OF LACTOPEROXIDASE WITH HYDROGEN PEROXIDE AT 1.77A RESOLUTION
Replaces: 5ZWWReplaces: 3NYHExperimental 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 | 54.231, 79.837, 77.548 |
| Unit cell angles | 90.00, 102.67, 90.00 |
Refinement procedure
| Resolution | 34.569 - 1.773 |
| Rwork | 0.187 |
| R-free | 0.22570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gc1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.922 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.570 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 62590 | 4037 |
| <I/σ(I)> | 6.9 | 2.9 |
| Completeness [%] | 98.9 | 96 |
| Redundancy | 4.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Iodide, PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.8 |
