3PD0
Caspase-3 E246A
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 | IMAGE PLATE |
Collection date | 2004-08-20 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.613, 83.778, 96.228 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.510 - 2.000 |
Rwork | 0.176 |
R-free | 0.20370 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.287 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Number of reflections | 18710 |
Completeness [%] | 98.6 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | Inhibitor, Ac-DEVD-CMK, reconstituted in DMSO, was added at a 5:1 inhibitor:protein ratio (w/w). Final buffer consisted of 10 mM Tris-HCl, 10 mM DTT, 3 mM NaN3, VAPOR DIFFUSION, HANGING DROP, pH 8.5, temperature 291K |