6LQW
Crystal structure of a dimeric yak lactoperoxidase at 2.59 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 | 2019-12-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.295, 96.732, 83.931 |
| Unit cell angles | 90.00, 90.30, 90.00 |
Refinement procedure
| Resolution | 40.640 - 2.600 |
| R-factor | 0.2137 |
| Rwork | 0.212 |
| R-free | 0.29230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6L3Z |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.109 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.640 | 2.670 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.120 | 0.447 |
| Rmeas | 0.140 | 0.521 |
| Rpim | 0.072 | 0.266 |
| Number of reflections | 40278 | 3537 |
| <I/σ(I)> | 6.5 | 2.3 |
| Completeness [%] | 98.7 | 88 |
| Redundancy | 3.8 | |
| CC(1/2) | 0.980 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2M Ammonium formate, 20% PEG 3350 |
