6L9T
Crystal structure of the complex of bovine lactoperoxidase with OSCN at 1.89 A resolution
This is a non-PDB format compatible entry.
Replaces: 3OGWExperimental 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 | 53.990, 79.930, 76.310 |
Unit cell angles | 90.00, 102.18, 90.00 |
Refinement procedure
Resolution | 35.325 - 1.890 |
Rwork | 0.205 |
R-free | 0.26370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ogw |
RMSD bond length | 0.012 |
RMSD bond angle | 1.745 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.590 | 1.940 |
High resolution limit [Å] | 1.890 | 1.890 |
Number of reflections | 50831 | 3581 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 99.4 | 100 |
Redundancy | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Iodide, PEG3350, pH6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |