4ZVQ
Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to VEID inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97919 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.890, 86.890, 187.711 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 69.846 - 2.500 |
R-factor | 0.1769 |
Rwork | 0.175 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3edr |
RMSD bond length | 0.003 |
RMSD bond angle | 0.870 |
Data reduction software | iMOSFLM (7.1.1) |
Data scaling software | SCALA |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 93.860 | 93.860 | 2.600 |
High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
Rmerge | 0.037 | 0.530 | |
Rpim | 0.042 | 0.017 | 0.231 |
Total number of observations | 196222 | 4195 | 22386 |
Number of reflections | 29209 | ||
<I/σ(I)> | 12.4 | 23.9 | 3.4 |
Completeness [%] | 100.0 | 98.5 | 100 |
Redundancy | 6.7 | 5.9 | 6.9 |
CC(1/2) | 0.997 | 0.998 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 300 mM diammonium citrate, 14% PEG 3350, 10 mM GuHCl, 20% glycerol |