3VV2
Crystal structure of complex form between S324A-subtilisin and mutant Tkpro
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.051, 68.583, 74.054 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.120 - 1.830 |
R-factor | 0.22103 |
Rwork | 0.218 |
R-free | 0.26806 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z30 |
RMSD bond length | 0.024 |
RMSD bond angle | 1.823 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.830 | 1.830 |
Number of reflections | 28926 | |
Completeness [%] | 96.7 | 93.7 |
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% PEG4000, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |