7LQB
X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 3 (merged)
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 | 67.772, 67.772, 101.757 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.890 - 1.020 |
R-factor | 0.1116 |
Rwork | 0.111 |
R-free | 0.12760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ln7 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.962 |
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] | 34.880 | 1.040 |
High resolution limit [Å] | 1.020 | 1.020 |
Rmerge | 0.248 | |
Rpim | 0.037 | 2.232 |
Number of reflections | 120651 | 5875 |
<I/σ(I)> | 16.7 | 1.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 47.5 | 32.7 |
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). |