5IC6
Crystal structure of caspase-7 DEVE peptide complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2014-09-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.115856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.142, 88.501, 103.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.150 - 2.700 |
R-factor | 0.1995 |
Rwork | 0.197 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ql5 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.814 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.170 | 0.890 |
Number of reflections | 17178 | |
<I/σ(I)> | 12.4 | 2.7 |
Completeness [%] | 99.6 | 98.2 |
Redundancy | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2 M ammonium fluoride, 0.1 M sodium acetate pH 4.6, 20% (w/v) PEG 10000 |