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 |