3QF1
Crystal structure of the complex of caprine lactoperoxidase with diethylenediamine at 2.6A 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 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.150, 80.180, 76.730 |
| Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
| Resolution | 44.150 - 2.600 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r5l |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.150 | 2.760 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 19796 | |
| <I/σ(I)> | 8.8 | 4.3 |
| Completeness [%] | 86.7 | 89.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Sodium nitrate, PEG, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
