5CX4
Crystal Structure of a Multiple Inositol Polyphosphate Phosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9690 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.800, 119.640, 76.080 |
| Unit cell angles | 90.00, 108.08, 90.00 |
Refinement procedure
| Resolution | 36.295 - 2.060 |
| R-factor | 0.1597 |
| Rwork | 0.158 |
| R-free | 0.20060 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.056 |
| Data scaling software | SCALA (3.3.20) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.193 | 50.193 | 2.110 |
| High resolution limit [Å] | 2.060 | 9.210 | 2.060 |
| Rmerge | 0.030 | 0.748 | |
| Rmeas | 0.114 | ||
| Rpim | 0.061 | 0.022 | 0.553 |
| Total number of observations | 187172 | 2091 | 13893 |
| Number of reflections | 55128 | ||
| <I/σ(I)> | 7.9 | 17.9 | 2.2 |
| Completeness [%] | 99.4 | 95.8 | 99.1 |
| Redundancy | 3.4 | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 0.2M Ammonium acetate, pH5.0, 18% PEG 3350, Protein 1mg/ml |
