7VE3
Structure of the complex of sheep lactoperoxidase with hypoiodite at 2.70 A resolution
Replaces: 3R5QExperimental 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 | 2011-02-13 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.942, 80.179, 76.122 |
Unit cell angles | 90.00, 102.86, 90.00 |
Refinement procedure
Resolution | 43.974 - 2.700 |
Rwork | 0.195 |
R-free | 0.27690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ikc |
RMSD bond length | 0.005 |
RMSD bond angle | 1.459 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.974 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 17167 | 1120 |
<I/σ(I)> | 46 | 10 |
Completeness [%] | 98.1 | 93 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium iodide, PEG 3350, pH6.8 |