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 |