3GYL
Structure of Prostasin at 1.3 Angstroms resolution in complex with a Calcium Ion.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.112, 54.039, 82.553 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.300 |
| R-factor | 0.1544 |
| Rwork | 0.153 |
| R-free | 0.17760 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3e1x |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.860 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.062 | 0.763 |
| Number of reflections | 57859 | |
| <I/σ(I)> | 18.9 | 1.8 |
| Completeness [%] | 95.0 | 84.5 |
| Redundancy | 5.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% Peg-3000, 0.2M Calcium Acetate buffered with 0.1M Tris at pH 7.0,, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
