2ZRQ
Crystal structure of S324A-subtilisin
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 | 2008-07-28 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.188, 60.925, 92.277 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.810 - 2.160 |
| R-factor | 0.14658 |
| Rwork | 0.144 |
| R-free | 0.19652 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z2x |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.525 |
| 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 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.084 | 0.232 |
| Number of reflections | 14504 | |
| <I/σ(I)> | 30.6 | 6.24 |
| Completeness [%] | 99.4 | 97.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.1M Sodium Acetate pH 5.0, 0.2M Ammonium Sulfate, 20% (w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
