2IOT
Clavulanic Acid bound to Elastase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-02-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.700, 57.700, 74.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.600 |
| R-factor | 0.235 |
| Rwork | 0.208 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1QNJ.pdb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.493 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.036 | 0.216 |
| Number of reflections | 31222 | |
| <I/σ(I)> | 4 | |
| Completeness [%] | 88.6 | 89.7 |
| Redundancy | 3106 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 200uM Na2SO4, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
