3R4X
Crystal structure of bovine lactoperoxidase complexed with pyrazine-2-carboxamide at 2 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.924, 79.717, 77.005 |
| Unit cell angles | 90.00, 102.22, 90.00 |
Refinement procedure
| Resolution | 75.260 - 2.010 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gc1 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.185 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.260 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.010 |
| Number of reflections | 39474 | |
| <I/σ(I)> | 30 | 3.8 |
| Completeness [%] | 96.0 | 90.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 298 | Ammonium Iodide, PEG3350, pH6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K , pH 6.8 , temperature 298 K |
