6TXG
Proteinase K in complex with a "half sandwich"-type Ru(II) coordination compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.708, 67.708, 107.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.263 - 1.372 |
R-factor | 0.1521 |
Rwork | 0.151 |
R-free | 0.16750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2id8 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.263 | 1.421 |
High resolution limit [Å] | 1.372 | 1.372 |
Rmerge | 0.011 | 0.054 |
Rmeas | 0.015 | 0.076 |
Rpim | 0.011 | 0.054 |
Number of reflections | 99661 | 5186 |
<I/σ(I)> | 34.91 | |
Completeness [%] | 99.9 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 1M SODIUM NITRATE, 0.1M CITRATE BUFFER, pH=6.5 |