3MCF
Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-26 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.390, 79.549, 88.729 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.503 - 2.000 |
R-factor | 0.1754 |
Rwork | 0.173 |
R-free | 0.21720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2duk |
RMSD bond length | 0.005 |
RMSD bond angle | 0.946 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.500 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.085 | 0.444 |
Number of reflections | 27499 | |
<I/σ(I)> | 19.1 | 5.1 |
Completeness [%] | 99.5 | 96.7 |
Redundancy | 7.1 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 19.8% PEG3000, 0.01M sodium acetate trihydrate pH 4.6, 0.1M tri-sodium citrate dihydrate pH 5.5, 0.12M tri-sodium citrate dihydrate unbuffered, VAPOR DIFFUSION, SITTING DROP, temperature 277K |