6RRP
Crystal structure of tyrosinase PvdP from Pseudomonas aeruginosa bound to copper and phenylthiourea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.239, 113.880, 100.577 |
| Unit cell angles | 90.00, 94.34, 90.00 |
Refinement procedure
| Resolution | 49.560 - 2.400 |
| R-factor | 0.1982 |
| Rwork | 0.195 |
| R-free | 0.25440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rrr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.579 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 49.520 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.970 | 2.400 |
| Rmerge | 0.084 | 0.031 | 0.608 |
| Rmeas | 0.097 | 0.036 | 0.708 |
| Rpim | 0.049 | 0.019 | 0.359 |
| Total number of observations | 3089 | 16912 | |
| Number of reflections | 44062 | 868 | 4477 |
| <I/σ(I)> | 10.9 | 31.3 | 2.1 |
| Completeness [%] | 99.4 | 98.7 | 96.4 |
| Redundancy | 3.8 | 3.6 | 3.8 |
| CC(1/2) | 0.997 | 0.998 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% PEG 3350, 0.1M Bis-Tris Propane |
