6QF1
X-Ray structure of Proteinase K crystallized on a silicon chip
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] | 298 |
Detector technology | PIXEL |
Collection date | 2017-09-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 68.467, 68.467, 108.272 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.196 - 1.737 |
R-factor | 0.1351 |
Rwork | 0.134 |
R-free | 0.15580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b5l |
RMSD bond length | 0.005 |
RMSD bond angle | 0.746 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.8) |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1-2155_9999) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.196 | 1.770 |
High resolution limit [Å] | 1.737 | 1.737 |
Rmerge | 0.143 | 0.646 |
Rmeas | 0.150 | 0.677 |
Number of reflections | 27136 | 1465 |
<I/σ(I)> | 10.9 | 3.4 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 11.1 | 11.3 |
CC(1/2) | 0.997 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1M CHC buffer pH 6.5, 0.6M ammonium sulphate, 10mM calcium chloride |