3Q40
Sulphur SAD structure solution of proteinase K grown in SO4-less solution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-25 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.8008 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.863, 67.863, 101.853 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.14034 |
Rwork | 0.138 |
R-free | 0.18335 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.493 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.5.0087) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.069 | 0.260 |
Number of reflections | 22527 | |
<I/σ(I)> | 97.7 | 9.5 |
Completeness [%] | 98.8 | 84.6 |
Redundancy | 49.6 | 19.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1 uL of 40 mg/ml protein and 1 uL of well solution: 10 mM CaCl2, 500 mM NaNO3, 100 mM Na cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |