6CL2
Caspase-7 in complex with Ac-ATS009-KE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | .98 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 88.309, 88.309, 186.459 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.233 - 2.350 |
R-factor | 0.1972 |
Rwork | 0.195 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.896 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2747: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.129 | 0.837 |
Rmeas | 0.170 | 1.211 |
Rpim | 0.059 | 0.462 |
Number of reflections | 35850 | 1783 |
<I/σ(I)> | 14.9 | 1.5 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 8.1 | 6.7 |
CC(1/2) | 0.933 | 0.704 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 1:1 dilution with 0.15 M sodium citrate, 1.6 M sodium formate, pH 5.0. |