3STO
Serpin from the trematode Schistosoma Haematobium
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-10-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9793, 0.9788, 0.9667 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 64.913, 64.913, 187.004 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.580 - 2.410 |
R-factor | 0.1649 |
Rwork | 0.162 |
R-free | 0.21300 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.417 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.580 | 2.440 |
High resolution limit [Å] | 2.410 | 2.400 |
Rmerge | 0.108 | |
Number of reflections | 18443 | |
<I/σ(I)> | 36.6 | 8.97 |
Completeness [%] | 98.6 | 100 |
Redundancy | 13.5 | 14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 50mM acetate buffer, 5% PEG 6000, 1% Triton X-100, 3% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 295K |