3VYV
Crystal structure of subtilisin NAT at 1.36
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-23 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.682, 80.039, 87.449 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.070 - 1.360 |
| R-factor | 0.1479 |
| Rwork | 0.146 |
| R-free | 0.17616 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1scj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.519 |
| Data reduction software | d*TREK |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.089 | 0.340 |
| Number of reflections | 111769 | |
| <I/σ(I)> | 37.9 | 6.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.9 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 15% PEG6000, 5% Ethanol, 0.2M Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
