4KJW
Structure of the CLC-ec1 deltaNC construct in 100mM fluoride and 20mM bromide
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] | 77 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.919 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 231.681, 98.892, 172.908 |
Unit cell angles | 90.00, 132.90, 90.00 |
Refinement procedure
Resolution | 39.485 - 3.030 |
R-factor | 0.2318 |
Rwork | 0.230 |
R-free | 0.26860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ene |
RMSD bond length | 0.005 |
RMSD bond angle | 0.803 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.100 |
High resolution limit [Å] | 3.030 | 3.030 |
Rmerge | 0.101 | 0.612 |
Number of reflections | 108408 | |
Completeness [%] | 100.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 295 | 25% PEG400, 100mM Na/K tartrate, 100mM Glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |