4OEK
Crystal Structure of the Complex of goat Lactoperoxidase with Phenylethylamine at 2.47 A 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 | 2013-11-29 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.166, 79.891, 75.284 |
Unit cell angles | 90.00, 101.80, 90.00 |
Refinement procedure
Resolution | 73.690 - 2.470 |
R-factor | 0.208 |
Rwork | 0.204 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sxv |
RMSD bond length | 0.012 |
RMSD bond angle | 1.841 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.210 | 2.540 |
High resolution limit [Å] | 2.470 | 2.470 |
Number of reflections | 18577 | |
<I/σ(I)> | 26.4 | 4.9 |
Completeness [%] | 89.2 | 91.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | 298 | Sodium nitrate, PEG , pH 6.8 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |