4KSZ
Crystal structure of bovine lactoperoxidase complexed with cystiene at 1.98A 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 | IMAGE PLATE |
| Collection date | 2012-11-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.006, 80.300, 76.510 |
| Unit cell angles | 90.00, 102.02, 90.00 |
Refinement procedure
| Resolution | 74.830 - 1.980 |
| R-factor | 0.21989 |
| Rwork | 0.217 |
| R-free | 0.25221 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r4x |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.065 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.830 | 2.050 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 40968 | |
| Completeness [%] | 96.8 | 94.3 |
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 |
