6L2J
Crystal structure of yak lactoperoxidase at 1.93 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 | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.850, 78.920, 67.750 |
| Unit cell angles | 90.00, 92.95, 90.00 |
Refinement procedure
| Resolution | 53.837 - 1.933 |
| Rwork | 0.145 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a4y |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.690 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.840 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.066 | 0.218 |
| Rmeas | 0.078 | 0.258 |
| Rpim | 0.040 | 0.136 |
| Number of reflections | 42433 | 3098 |
| <I/σ(I)> | 14.3 | 5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.5 |
| CC(1/2) | 0.996 | 0.935 |
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 |
