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 |
