3NAK
Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite at 3.3 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.991, 72.272, 83.652 |
| Unit cell angles | 85.45, 84.04, 75.89 |
Refinement procedure
| Resolution | 19.870 - 3.300 |
| R-factor | 0.20772 |
| Rwork | 0.205 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ojv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.191 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 18655 | |
| <I/σ(I)> | 1.8 | |
| Completeness [%] | 94.8 | 97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 280 | 0.2 M Ammonium Formate 20%w/v PEG 3350, PH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
