6V2J
Crystal structure of ClC-ec1 triple mutant (E113Q, E148Q, E203Q)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03321 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 80.970, 120.440, 122.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.650 - 2.620 |
R-factor | 0.1964 |
Rwork | 0.193 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ots |
RMSD bond length | 0.005 |
RMSD bond angle | 1.329 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.650 | 2.730 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmerge | 0.173 | 0.866 |
Rmeas | 0.185 | 1.000 |
Rpim | 0.086 | |
Number of reflections | 17991 | 1830 |
<I/σ(I)> | 8.4 | |
Completeness [%] | 97.5 | |
Redundancy | 7.4 | |
CC(1/2) | 0.991 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 8.5 | 289 | 100mM Tris, 100mM sodium malonate, 30% PEG 400, 2.5% 2-Methyl-2,4-pentanediol |