3H1P
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-09-02 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 89.347, 89.347, 186.101 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.260 - 2.610 |
R-factor | 0.202 |
Rwork | 0.199 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f1j |
RMSD bond length | 0.019 |
RMSD bond angle | 1.876 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.610 | 2.610 |
Number of reflections | 26471 | |
<I/σ(I)> | 15.1 | 2 |
Completeness [%] | 98.3 | 98.1 |
Redundancy | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 14% PEG 3350, 300mM diammonium hydrogen citrate, 10mM guanidine hydrochloride, and 10mM DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |