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 |