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 |