3BXI
Structure of the complex of bovine lactoperoxidase with its catalyzed product hypothiocyanate ion at 2.3A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-02-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54132 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.630, 80.667, 77.680 |
| Unit cell angles | 90.00, 102.60, 90.00 |
Refinement procedure
| Resolution | 24.460 - 2.300 |
| R-factor | 0.17096 |
| Rwork | 0.168 |
| R-free | 0.21803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cxp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.730 |
| 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] | 75.810 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 27641 | |
| Completeness [%] | 99.3 | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | NaNO3, PEG3350, pH6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
