1RHQ
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A BROMOMETHOXYPHENYL INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1998-04-05 |
Detector | SIEMENS |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.300, 96.900, 70.900 |
Unit cell angles | 90.00, 128.06, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
Rwork | 0.273 |
R-free | 0.35400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Protein part of 1pau.pdb |
RMSD bond length | 0.009 |
RMSD bond angle | 1.600 |
Data reduction software | X-GEN |
Data scaling software | SAINT (V. 4.050) |
Phasing software | X-PLOR |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.106 |
High resolution limit [Å] | 2.999 | 2.999 |
Rmerge | 0.061 | 0.163 |
Number of reflections | 11487 | |
<I/σ(I)> | 5.22 | 2.03 |
Completeness [%] | 96.8 | 88.7 |
Redundancy | 1.39 | 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.93 | 293 | 7.8% PEG-6000, 100 mM citrate, 120 mM ZnCl(2), 10 mM DTT, 3 mM NaN(3), pH 4.93, VAPOR DIFFUSION, HANGING DROP, temperature 293K |