2Z58
Crystal structure of G56W-propeptide:S324A-subtilisin complex
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 | 2006-11-21 |
| Detector | BRUKER SMART 6500 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.837, 67.345, 74.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.880 |
| R-factor | 0.19613 |
| Rwork | 0.195 |
| R-free | 0.22587 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e1p |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.023 |
| 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] | 1.860 | 1.860 |
| Rmerge | 0.066 | 0.259 |
| Number of reflections | 27551 | |
| <I/σ(I)> | 33.6 | 4.6 |
| Completeness [%] | 97.2 | 73.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1M Sodium Acetate (pH 5.0), 10%(v/v) Isopropanol, 0.2M Zinc Acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
