2FYE
Mutant Human Cathepsin S with irreversible inhibitor CRA-14013
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 280 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-02-25 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 79.580, 85.430, 116.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.700 - 2.200 |
| R-factor | 0.208 |
| Rwork | 0.194 |
| R-free | 0.21000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.124 | 0.632 |
| Number of reflections | 18684 | 1913 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 91.3 | 94.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.5 | 280 | Under typical crystallization conditions the reservoir contained 80 mM ammonium sulfate and 12% (w/v) polyethylene glycol 8000. This was allowed to equilibrate with a hanging drop containing 2 microliters of the reservoir solution and 2 microliters of a 10 mg/mL protein solution in 25 mM sodium acetate (pH 4.5). , VAPOR DIFFUSION, temperature 280K |
