3A3P
Crystal structure of complex between E201A/SA-subtilisin and Tk-propeptide
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 | 2008-10-22 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.038, 68.150, 73.772 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.980 - 1.900 |
| R-factor | 0.17175 |
| Rwork | 0.169 |
| R-free | 0.21569 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z30 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.558 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.186 | 0.571 |
| Number of reflections | 26027 | |
| <I/σ(I)> | 12.8 | 1.8 |
| Completeness [%] | 98.9 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Sodium Cacodylate, 0.2M Zinc Acetate, 10%(v/v) isopropanol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
