4RSM
Crystal structure of carbohydrate transporter msmeg_3599 from mycobacterium smegmatis str. mc2 155, target efi-510970, in complex with d-threitol
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 | 62.723, 128.288, 66.579 |
| Unit cell angles | 90.00, 93.05, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.17805 |
| Rwork | 0.177 |
| R-free | 0.21738 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.545 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.093 | 0.680 |
| Number of reflections | 126794 | |
| <I/σ(I)> | 23.6 | 2.5 |
| Completeness [%] | 96.2 | 90.7 |
| Redundancy | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM D-THREITOL), RESERVOIR: 0.1 M CITRIC ACID:NAOH, PH 4.0, 25% PEG3350, CRYOPROTECTION: RESERVOIR SOLUTION, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
