1RWV
Crystal structure of human caspase-1 in complex with 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 180 |
Detector technology | IMAGE PLATE |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.048, 63.048, 161.056 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.19988 |
Rwork | 0.198 |
R-free | 0.23802 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 1RWN |
RMSD bond length | 0.006 |
RMSD bond angle | 0.883 |
Data reduction software | MOSFLM |
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 | 2.070 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.087 | 0.379 |
Number of reflections | 21933 | |
Completeness [%] | 98.9 | 85.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278 | 0.1M PIPES, 14% PEG 6000, 10mM DTT, 3mM NaN3, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K |