2H2P
Crystal structure of CLC-ec1 in complex with Fab fragment in SeCN-
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 220.581, 121.578, 151.240 |
| Unit cell angles | 90.00, 128.25, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.100 |
| R-factor | 0.2781 |
| Rwork | 0.278 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.494 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.087 | 0.652 |
| Number of reflections | 61583 | |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 98.9 | 93.8 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 100 mM KSCN, PEG 300 38%, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
