8Y9X
Crystal structure of the complex of lactoperoxidase with four inorganic substrates, SCN, I, Br and Cl
Replaces: 8K5MReplaces: 3S4FExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2010-10-21 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.350, 80.332, 73.391 |
Unit cell angles | 90.00, 103.94, 90.00 |
Refinement procedure
Resolution | 43.521 - 2.000 |
Rwork | 0.151 |
R-free | 0.19510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8K5M |
RMSD bond length | 0.008 |
RMSD bond angle | 1.684 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.521 | 2.050 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 39294 | 3044 |
<I/σ(I)> | 29.8 | 4.3 |
Completeness [%] | 96.7 | 77 |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 0.2 M Ammonium iodide, 20%(w/v) PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298 K |