6M9F
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Tyrostatin
Replaces: 1KDZExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 62 |
| Unit cell lengths | 98.240, 98.240, 83.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.300 |
| R-factor | 0.1932 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ga6 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.020 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | SHELXL (2018/3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.060 | 0.546 |
| Number of reflections | 110028 | 11184 |
| <I/σ(I)> | 26.3 | |
| Completeness [%] | 97.9 | 99.8 |
| Redundancy | 5.32 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | Ammonium sulfate, guanidinium hydrochloride, glycerol |
