3SXV
Crystal structure of the complex of goat lactoperoxidase with amitrole at 2.1 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 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.991, 79.620, 77.520 |
| Unit cell angles | 90.00, 102.24, 90.00 |
Refinement procedure
| Resolution | 75.760 - 2.100 |
| R-factor | 0.21428 |
| Rwork | 0.212 |
| R-free | 0.25737 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r5l |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.832 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.760 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 35172 | |
| <I/σ(I)> | 37 | 2.6 |
| Completeness [%] | 99.2 | 99 |
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 298K , temperature 298 K |
