2O86
Crystal structure of a ternary complex of buffalo lactoperoxidase with nitrate and iodide at 2.8 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-06 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.535, 80.833, 77.655 |
| Unit cell angles | 90.00, 102.96, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.2091 |
| Rwork | 0.209 |
| R-free | 0.21777 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ips |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.089 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 14923 | |
| Completeness [%] | 97.8 | 98.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
