3RKE
Crystal Structure of goat Lactoperoxidase complexed with a tightly bound inhibitor, 4-aminophenyl-4H-imidazole-1-yl methanone at 2.3 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 | 2011-02-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.980, 80.530, 76.160 |
| Unit cell angles | 90.00, 103.07, 90.00 |
Refinement procedure
| Resolution | 44.030 - 2.300 |
| R-factor | 0.245 |
| Rwork | 0.245 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3niu |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.030 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 27690 | |
| <I/σ(I)> | 30.8 | 3.4 |
| Completeness [%] | 97.7 | 97.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 0.2M Ammonium iodide, PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
