5K20
Caspase-7 S239E Phosphomimetic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 88.757, 88.757, 185.141 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 76.980 - 2.200 |
R-factor | 0.1948 |
Rwork | 0.191 |
R-free | 0.22790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ibf |
RMSD bond length | 0.017 |
RMSD bond angle | 1.769 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.980 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 43569 | |
<I/σ(I)> | 37.4 | 1.8 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 10.9 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 2.1 M Sodium Formate 100 mM Sodium Citrate |