2IPS
Crystal structure of a ternary complex of bovine lactoperoxidase with thiocyanate and iodide at 3.1 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 | 2006-09-20 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.540, 80.590, 77.920 |
| Unit cell angles | 90.00, 102.69, 90.00 |
Refinement procedure
| Resolution | 17.070 - 3.100 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2GJ1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| 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 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 11881 | |
| Completeness [%] | 99.3 | 98.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
