3QF1
Crystal structure of the complex of caprine lactoperoxidase with diethylenediamine at 2.6A 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 | 54.150, 80.180, 76.730 |
Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
Resolution | 44.150 - 2.600 |
R-factor | 0.235 |
Rwork | 0.235 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r5l |
RMSD bond length | 0.016 |
RMSD bond angle | 2.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.150 | 2.760 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 19796 | |
<I/σ(I)> | 8.8 | 4.3 |
Completeness [%] | 86.7 | 89.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Sodium nitrate, PEG, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |