3KRQ
Crystal structure of the complex of lactoperoxidase with a potent inhibitor amino-triazole at 2.2a resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-08-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.487, 81.105, 73.928 |
| Unit cell angles | 90.00, 100.82, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.250 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gc1 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.700 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 30048 | |
| Completeness [%] | 99.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.01M phosphate buffer, 0.2M ammonium iodide, 20% (w/v) PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
