7LTI
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
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 | 67.721, 67.721, 101.423 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.860 - 0.910 |
R-factor | 0.1533 |
Rwork | 0.152 |
R-free | 0.17010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ltd |
RMSD bond length | 0.006 |
RMSD bond angle | 0.901 |
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] | 40.620 | 0.930 |
High resolution limit [Å] | 0.910 | 0.910 |
Rmerge | 0.073 | 1.436 |
Rpim | 0.028 | 0.922 |
Number of reflections | 166939 | 6703 |
<I/σ(I)> | 10.4 | 0.5 |
Completeness [%] | 99.0 | 81.1 |
Redundancy | 7.1 | 2.9 |
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 (0.5 M Sodium Nitrate). |