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 |
