2QQT
Crystal structure of the complex of bovine lactoperoxidase with acetyl salicylic acid at 2.5 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-07-24 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54132 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.660, 80.520, 77.970 |
| Unit cell angles | 90.00, 102.65, 90.00 |
Refinement procedure
| Resolution | 19.440 - 2.500 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pt3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.800 |
| 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] | 19.440 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 22613 | |
| Completeness [%] | 98.1 | 95.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Tris-HCl, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
