4EHK
Allosteric Modulation of Caspase-3 through Mutagenesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 109.820, 96.775, 69.176 |
Unit cell angles | 90.00, 127.39, 90.00 |
Refinement procedure
Resolution | 27.481 - 1.668 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.22950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.151 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.280 | 1.740 |
High resolution limit [Å] | 1.668 | 2.120 | 1.680 |
Number of reflections | 64962 | ||
Completeness [%] | 97.9 | 98.5 | 97.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | Protein solution: 8 mg/ml protein in 10 mM Tris-HCl, pH 8.5, 10 mM DTT, and 3 mM NaN3. Reservoir solution: 100 mM sodium citrate, pH 5.0, 3 mM NaN3, 10 mM DTT, and 10% 16% PEG 6000. Drop: 4ul protein Solution: 4 ul reservoir solution, VAPOR DIFFUSION, HANGING DROP, temperature 291K |