7C6G
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open-liganded state bound to gentiobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-02-09 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.340, 91.540, 69.390 |
| Unit cell angles | 90.00, 112.51, 90.00 |
Refinement procedure
| Resolution | 48.750 - 1.900 |
| R-factor | 0.1761 |
| Rwork | 0.173 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7c63 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.920 |
| Data reduction software | MOSFLM (7.2.2) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.750 | 48.750 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.085 | 0.065 | 0.431 |
| Rmeas | 0.096 | 0.074 | 0.485 |
| Rpim | 0.043 | 0.035 | 0.219 |
| Total number of observations | 252521 | 2442 | 14977 |
| Number of reflections | 53435 | 535 | 3258 |
| <I/σ(I)> | 10.6 | 19.3 | 2.8 |
| Completeness [%] | 94.5 | 98.7 | 89.3 |
| Redundancy | 4.7 | 4.6 | 4.6 |
| CC(1/2) | 0.995 | 0.992 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 293 | 0.2 M Ammonium sulphate, 45% PEG 8000 |
