4RS3
Crystal structure of carbohydrate transporter A0QYB3 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with xylitol
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 21 21 21 |
| Unit cell lengths | 62.841, 63.070, 73.134 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.760 - 1.400 |
| R-factor | 0.12524 |
| Rwork | 0.124 |
| R-free | 0.16294 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.959 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.111 | 0.720 |
| Number of reflections | 57826 | |
| <I/σ(I)> | 16.5 | 4.1 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 14.6 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM DL-XYLITOL), RESERVOIR: 0.1 M IMIDAZOLE-HCL, PH 8.0, 0.2M ZINC ACETATE, 2.5M SODIUM CHLORIDE; CRYOPROTECTION: RESERVOIR SOLUTION; VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
