6KKL
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.408, 83.616, 89.937 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.808 - 2.654 |
| R-factor | 0.243 |
| Rwork | 0.241 |
| R-free | 0.26220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.086 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.330 | 45.330 | 2.780 |
| High resolution limit [Å] | 2.650 | 8.800 | 2.650 |
| Rmerge | 0.046 | 0.020 | 0.726 |
| Rmeas | 0.050 | 0.022 | 0.790 |
| Rpim | 0.020 | 0.009 | 0.310 |
| Total number of observations | 97390 | 2589 | 12562 |
| Number of reflections | 15274 | 476 | 1980 |
| <I/σ(I)> | 21.3 | 72.3 | 2.7 |
| Completeness [%] | 99.9 | 98.4 | 99.7 |
| Redundancy | 6.4 | 5.4 | 6.3 |
| CC(1/2) | 0.999 | 0.999 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 12% PEG 4000, 0.1 M Hepes pH 7.5 |
