3UBA
Crystal structure of the complex of bovine lactoperoxidase with p-hydroxycinnamic acid at 2.6 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 | 2011-02-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.050, 80.230, 76.100 |
| Unit cell angles | 90.00, 103.33, 90.00 |
Refinement procedure
| Resolution | 43.990 - 2.650 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gc1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 18137 | |
| <I/σ(I)> | 11.2 | 3.1 |
| Completeness [%] | 98.0 | 98.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Ammonium Iodide, PEG3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
