6FJS
Proteinase~K SIRAS phased structure of room-temperature, serially collected synchrotron data
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 | 2016-05-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.550, 67.550, 107.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.180 - 1.900 |
R-factor | 0.1438 |
Rwork | 0.142 |
R-free | 0.17140 |
Structure solution method | SIRAS |
RMSD bond length | 0.019 |
RMSD bond angle | 1.784 |
Data reduction software | CrystFEL |
Data scaling software | XSCALE |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.180 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 37456 | |
<I/σ(I)> | 1.99 | |
Completeness [%] | 99.9 | |
Redundancy | 214.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 298 | 50 mM Tris-HCl pH 7.0 with 10 mM CaCl2, 0.6 M NaNO3 |