1SC4
Crystal structure of the human caspase-1 C285A mutant after removal of malonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 180 |
Detector technology | IMAGE PLATE |
Collection date | 2003-07-10 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.982, 62.982, 143.158 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.22295 |
Rwork | 0.221 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rwn |
RMSD bond length | 0.006 |
RMSD bond angle | 0.911 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.110 | 0.297 |
Number of reflections | 17527 | |
Completeness [%] | 95.3 | 78.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 274 | 2 M sodium malonate, VAPOR DIFFUSION, HANGING DROP, temperature 274K. Malonate-bound enzyme crystals were transferred into mother liquor composed of 0.1 M PIPES pH 6, 88 mM (NH4)2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3 and 2 mM MgCl2, and soaked for 2 days to remove malonate. |