3GCK
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54312 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.515, 80.113, 68.571 |
| Unit cell angles | 90.00, 93.99, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.900 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bxi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.950 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 11998 | |
| Completeness [%] | 91.5 | 94.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M ammonium Iodide, PEG3350, pH6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
