6CCI
The Crystal Structure of XOAT1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-11 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54188 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.431, 58.169, 138.528 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.260 - 1.850 |
| R-factor | 0.16365 |
| Rwork | 0.161 |
| R-free | 0.21863 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.913 |
| Data reduction software | SAINT |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 7.850 |
| High resolution limit [Å] | 1.850 | 1.950 |
| Number of reflections | 34979 | 5040 |
| <I/σ(I)> | 9 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES pH 6.0 to 7.0, 15% to 22% w/v PEG 3350, 0.02 M Calcium chloride dihydrate, 0.02 M Cadmium chloride hydrate and 0.02 M Cobalt(II) chloride hexahydrate |
