2Z5Z
Crystal structure of the complex of buffalo Lactoperoxidase with fluoride ion at 3.5A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-06-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.127, 80.739, 77.699 |
| Unit cell angles | 90.00, 102.94, 90.00 |
Refinement procedure
| Resolution | 75.810 - 3.500 |
| R-factor | 0.22182 |
| Rwork | 0.221 |
| R-free | 0.23484 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o86 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.991 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.810 | 3.620 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Number of reflections | 6641 | |
| <I/σ(I)> | 3.9 | 1.9 |
| Completeness [%] | 83.6 | 87.7 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 290 | TRIS-HCL, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
