7LQ8
X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 277 |
Detector technology | PIXEL |
Collection date | 2018-12-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.88557 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.652, 67.652, 101.518 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.810 - 1.300 |
R-factor | 0.1226 |
Rwork | 0.121 |
R-free | 0.15100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ln7 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.922 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.810 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.107 | 2.646 |
Rpim | 0.039 | 1.138 |
Number of reflections | 58566 | 2823 |
<I/σ(I)> | 12.1 | 0.7 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 8.2 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Proteinase K was dissolved in 10 mM Calcium Chloride, 50 mM Tris pH 7.5 at a final concentration of 30 mg/ml. 1-2 microliters of this protein solution was mixed with an equivalent volume of precipitant solution (1.0 M Ammonium Sulfate). |