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 |