6LCO
Crystal structure of bovine lactoperoxidase with substrates thiocynate and iodide bound at the distal heme side at 1.99 A resolution.
Replaces: 4NT3Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2013-09-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.270, 80.441, 76.599 |
Unit cell angles | 90.00, 103.20, 90.00 |
Refinement procedure
Resolution | 39.105 - 1.995 |
Rwork | 0.207 |
R-free | 0.26110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4NT3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.581 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.110 | 2.050 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 40498 | 3186 |
<I/σ(I)> | 9.8 | 3.9 |
Completeness [%] | 92.6 | |
Redundancy | 4.5 | 3.7 |
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 |