7C75
Crystal structure of yak lactoperoxidase with partially coordinated Na ion in the distal heme cavity
Replaces: 6L3ZExperimental 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 | 2019-09-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.910, 84.830, 98.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.295 - 2.700 |
| Rwork | 0.193 |
| R-free | 0.26750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6L3Z |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.648 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.300 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.200 | 1.050 |
| Rpim | 0.090 | 0.340 |
| Number of reflections | 18790 | 1265 |
| <I/σ(I)> | 7.1 | 2.8 |
| Completeness [%] | 99.3 | 97.6 |
| Redundancy | 9.9 | 9.3 |
| CC(1/2) | 0.970 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M Sodium Fluoride, 20% PEG 3350 |
