2Z2Z
Crystal structure of unautoprocessed form of Tk-subtilisin soaked by 10mM CaCl2
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 | 2006-10-20 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 92.658, 124.173, 72.314 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.330 - 1.870 |
| R-factor | 0.17155 |
| Rwork | 0.169 |
| R-free | 0.21191 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e1p |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.279 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.042 | 0.188 |
| Number of reflections | 34961 | |
| <I/σ(I)> | 45 | 7.4 |
| Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 4.0M Sodium Formate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
