6K5I
Crystal structure of the E148D/R147A/F317A mutant CLC-ec1 in the presence of 20 mM NaBr
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 77.36 |
Detector technology | PIXEL |
Collection date | 2019-04-02 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 231.914, 98.826, 170.295 |
Unit cell angles | 90.00, 131.88, 90.00 |
Refinement procedure
Resolution | 42.886 - 3.022 |
R-factor | 0.213 |
Rwork | 0.210 |
R-free | 0.26380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ene |
RMSD bond length | 0.009 |
RMSD bond angle | 1.140 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.900 | 3.070 |
High resolution limit [Å] | 3.020 | 3.020 |
Rmerge | 0.074 | 0.569 |
Number of reflections | 109854 | 5476 |
<I/σ(I)> | 20.2 | 1.69 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.960 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | PEG 400 23% (v/v), 20 mM Na/K tartrate, 100 mM Tris-SO4 |