3I7X
High pressure structure of I106A RNase A variant (0.35 GPa)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | ENRAF-NONIUS FR590 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2005-08-03 |
Detector | Nonius Kappa CCD |
Wavelength(s) | 0.7107 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 64.340, 64.340, 63.633 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
Rwork | 0.188 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fs3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.204 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 99.000 | 99.000 | 2.640 |
High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
Rmerge | 0.193 | 0.107 | 0.528 |
Rmeas | 0.193 | ||
Number of reflections | 5234 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 97.9 | 92.4 | 98.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | ammonium sulfate, sodium chloride, sodium acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |