2V8B
SAD Structure solution of Proteinase K grown in selenate 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 | 2007-06-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.053, 68.053, 102.553 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 0.940 |
| R-factor | 0.091 |
| Rwork | 0.090 |
| R-free | 0.10300 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.592 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 0.950 |
| High resolution limit [Å] | 0.950 | 0.940 |
| Rmerge | 0.050 | 0.300 |
| Number of reflections | 1875402 | |
| <I/σ(I)> | 30.5 | 2 |
| Completeness [%] | 98.7 | 85.6 |
| Redundancy | 6.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | HANGING DROP AT 20C, 50 TO 200 MM NASEO4 |
