1SCJ
CRYSTAL STRUCTURE OF SUBTILISIN-PROPEPTIDE COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 108 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.544, 92.210, 47.415 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.174 * |
| Rwork | 0.173 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1CSE AND 1SPB |
| RMSD bond length | 0.012 |
| RMSD bond angle | 25.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (0.3) |
| Refinement software | CNS (0.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.130 |
| High resolution limit [Å] | 1.800 | 2.000 |
| Rmerge | 0.075 * | 0.138 * |
| Total number of observations | 248934 * | |
| Number of reflections | 30444 | |
| <I/σ(I)> | 34 | |
| Completeness [%] | 87.0 | 60 |
| Redundancy | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 20 * | pH 6.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 20 (%(v/v)) | |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
| 4 | 1 | reservoir | sodium acetate | 0.2 (M) |
