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 |
