4JJ8
Caspase-3 specific unnatural amino acid peptides
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03318 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 89.089, 89.089, 185.535 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.255 - 2.937 |
R-factor | 0.1939 |
Rwork | 0.193 |
R-free | 0.21580 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.768 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 48.260 |
High resolution limit [Å] | 2.937 |
Rmerge | 0.144 |
Number of reflections | 18865 |
<I/σ(I)> | 24.4 |
Completeness [%] | 99.9 |
Redundancy | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 0.15M Sodium citrate pH 4.0, 2.0 M Sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |