6KY7
Crystal structure of yak lactoperoxidase at 2.27 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-09-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.080, 80.640, 76.130 |
| Unit cell angles | 90.00, 102.80, 90.00 |
Refinement procedure
| Resolution | 52.790 - 2.270 |
| Rwork | 0.196 |
| R-free | 0.26630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bxi |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.593 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.792 | 2.340 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Number of reflections | 29600 | 2695 |
| <I/σ(I)> | 7.6 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.994 | 0.806 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M AMMONIUM IODIDE, 20% PEG 3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, 298K |
