3A3N
Crystal structure of complex between SA-subtilisin and Tk-propeptide with deletion of the two C-terminal residues
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-17 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.732, 68.468, 73.704 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.860 - 2.200 |
R-factor | 0.1727 |
Rwork | 0.170 |
R-free | 0.23074 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z30 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.843 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.125 | 0.384 |
Number of reflections | 17483 | |
<I/σ(I)> | 18.3 | 2.5 |
Completeness [%] | 96.3 | 80.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Sodium Cacodylate, 0.2M Zinc Acetate, 2%(w/v) PEG4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |