3DET
Structure of the E148A, Y445A doubly ungated mutant of E.coli CLC_Ec1, Cl-/H+ antiporter
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] | 178 |
| Detector technology | CCD |
| Collection date | 2008-04-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 231.167, 97.514, 173.277 |
| Unit cell angles | 90.00, 132.88, 90.00 |
Refinement procedure
| Resolution | 59.030 - 2.800 |
| R-factor | 0.25698 |
| Rwork | 0.255 |
| R-free | 0.29885 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ots |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.730 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.000 | 2.860 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.106 | 0.160 |
| Number of reflections | 60533 | |
| <I/σ(I)> | 10.9 | 4.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 300 mM KCl, 26.6% PEG 600, 50 mM Na-cacodylate pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
