7LU1
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 5
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 | 67.754, 67.754, 101.653 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.880 - 1.060 |
R-factor | 0.1447 |
Rwork | 0.143 |
R-free | 0.16880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ltd |
RMSD bond length | 0.006 |
RMSD bond angle | 0.887 |
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] | 34.860 | 1.080 |
High resolution limit [Å] | 1.060 | 1.060 |
Rmerge | 0.067 | 2.426 |
Rpim | 0.024 | 1.035 |
Number of reflections | 107511 | 5213 |
<I/σ(I)> | 10.5 | 0.7 |
Completeness [%] | 100.0 | 99.5 |
Redundancy | 8.3 | 6.2 |
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). |