5CU7
Bacteroides Thetaiotaomicron Multiple Inositol Polyphosphate Phosphatase A324D Mutant
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 | 2012-05-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9690 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.960, 119.680, 75.910 |
| Unit cell angles | 90.00, 108.18, 90.00 |
Refinement procedure
| Resolution | 38.511 - 1.730 |
| R-factor | 0.1574 |
| Rwork | 0.156 |
| R-free | 0.18140 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.020 |
| Data scaling software | SCALA (3.3.20) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.840 | 59.840 | 1.780 |
| High resolution limit [Å] | 1.730 | 7.750 | 1.730 |
| Rmerge | 0.025 | 0.683 | |
| Rmeas | 0.075 | ||
| Rpim | 0.040 | 0.019 | 0.470 |
| Total number of observations | 313887 | 3157 | 23949 |
| Number of reflections | 92472 | ||
| <I/σ(I)> | 10.4 | 23.3 | 2 |
| Completeness [%] | 99.4 | 90.7 | 99.9 |
| Redundancy | 3.4 | 3.2 | 3.5 |
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 |
