3PY4
Crystal structure of bovine lactoperoxidase in complex with paracetamol at 2.4A 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 | 2010-10-21 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.810, 80.673, 74.442 |
Unit cell angles | 90.00, 103.07, 90.00 |
Refinement procedure
Resolution | 43.900 - 2.420 |
R-factor | 0.225 |
Rwork | 0.225 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gc1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.950 | 2.440 |
High resolution limit [Å] | 2.400 | 2.420 |
Number of reflections | 22379 | |
<I/σ(I)> | 40.3 | 5 |
Completeness [%] | 95.0 | 78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Iodide, PEG 3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |