2IK7
Yeast inorganic pyrophosphatase variant D120N 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 | 2002-01-08 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.652, 93.000, 69.266 |
Unit cell angles | 90.00, 99.33, 90.00 |
Refinement procedure
Resolution | 4.480 - 1.900 |
R-factor | 0.1568 |
Rwork | 0.154 |
R-free | 0.20986 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1huk |
RMSD bond length | 0.015 |
RMSD bond angle | 1.503 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.091 | 0.542 |
Number of reflections | 50505 | |
<I/σ(I)> | 7.7 | 1.4 |
Completeness [%] | 99.3 | 96.6 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 277 | 16% MPD, 10 MM MGCL2, 1 MM PO4-, VAPOR DIFFUSION, TEMPERATURE 277K, pH 6.00 |