4RU1
Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus 11B, TARGET EFI-510965, in complex with myo-inositol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-24 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.537, 149.976, 221.631 |
| Unit cell angles | 90.00, 91.85, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.18666 |
| Rwork | 0.185 |
| R-free | 0.22558 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.948 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.087 | 0.560 |
| Number of reflections | 543373 | |
| <I/σ(I)> | 16.1 | 2.7 |
| Completeness [%] | 89.8 | 89.2 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 294 | PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM MYO-INOSITOL), RESERVOIR: 0.1 M CITRIC ACID:NAOH, PH 4.0, 25% PEG3350, CRYOPROTECTION: RESERVOIR SOLUTION, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
