2IK2
Yeast inorganic pyrophosphatase variant D115E with magnesium and phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-02-02 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.578, 93.366, 69.797 |
Unit cell angles | 90.00, 99.86, 90.00 |
Refinement procedure
Resolution | 19.880 - 1.800 |
R-factor | 0.17728 |
Rwork | 0.175 |
R-free | 0.21652 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1huk |
RMSD bond length | 0.016 |
RMSD bond angle | 1.565 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.067 | 0.344 |
Number of reflections | 58354 | |
<I/σ(I)> | 18.5 | 2.8 |
Completeness [%] | 96.8 | 93.6 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 277 | 16% MPD, 10 MM MGCL2, 1 MM PO4-, PH 6.0, VAPOR DIFFUSION, TEMPERATURE 277K, pH 6.00 |