6K5F
Crystal structure of the CLC-ec1 deltaNC in presence of 200 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 | 230.789, 101.656, 172.003 |
Unit cell angles | 90.00, 132.09, 90.00 |
Refinement procedure
Resolution | 44.700 - 3.203 |
R-factor | 0.2387 |
Rwork | 0.236 |
R-free | 0.29980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ene |
RMSD bond length | 0.012 |
RMSD bond angle | 1.376 |
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] | 44.700 | 3.300 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.094 | 0.623 |
Number of reflections | 93832 | 4720 |
<I/σ(I)> | 18.2 | 1.41 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.973 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | PEG 400 25% (v/v), 200mM NaBr 100 mM Tris-SO4 |