6M9C
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Pseudotyrostatin
Replaces: 1KE1Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-07-08 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 62 |
Unit cell lengths | 98.270, 98.270, 83.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.1628 |
Rwork | 0.163 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ga6 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.023 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Refinement software | SHELXL (2018/3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.282 | |
Number of reflections | 41476 | 2099 |
<I/σ(I)> | 39 | |
Completeness [%] | 98.0 | 99.1 |
Redundancy | 4.95 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | Ammonium sulfate, guanidinium hydrochloride, glycerol |