3P45
Crystal structure of apo-caspase-6 at physiological pH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.230, 161.240, 88.920 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 29.958 - 2.530 |
R-factor | 0.2101 |
Rwork | 0.207 |
R-free | 0.26390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.742 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.958 | 29.958 | 2.670 |
High resolution limit [Å] | 2.530 | 8.000 | 2.530 |
Rmerge | 0.032 | 0.550 | |
Total number of observations | 6917 | 30684 | |
Number of reflections | 75818 | ||
<I/σ(I)> | 8 | 16.4 | 1.4 |
Completeness [%] | 99.8 | 97.1 | 99.8 |
Redundancy | 2.9 | 2.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 3.3 M sodium nitrate, 0.1 M Tris, 0.5 % ethyl acetate, 5 mM THP, pH 7.4, vapor diffusion, hanging drop, temperature 293K |