6KKJ
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.227, 89.150, 90.007 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.799 - 3.385 |
R-factor | 0.2529 |
Rwork | 0.249 |
R-free | 0.28700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kki |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.520 |
High resolution limit [Å] | 3.385 | 7.290 | 3.400 |
Rmerge | 0.113 | 0.085 | 0.516 |
Rmeas | 0.126 | 0.094 | 0.612 |
Rpim | 0.055 | 0.040 | 0.322 |
Number of reflections | 8067 | 897 | 780 |
<I/σ(I)> | 5.2 | ||
Completeness [%] | 98.8 | 99.7 | 96.8 |
Redundancy | 4.5 | 5.3 | 3.2 |
CC(1/2) | 0.993 | 0.627 |
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 |