6L5G
Crystal structure of yak lactoperoxidase with disordered heme moiety at 2.50 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.820, 84.710, 99.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.375 - 2.500 |
| Rwork | 0.185 |
| R-free | 0.23940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bxi |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.587 |
| 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] | 64.380 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 23901 | 2648 |
| <I/σ(I)> | 7.5 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.6 | 11.3 |
| CC(1/2) | 0.990 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M Potassium fluoride, 20% PEG 3350 |
