7CVT
Crystal structure of the C85A/L194A/H234C mutant CLC-ec1 with Fab fragment
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 | CCD |
Collection date | 2018-02-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 233.034, 98.305, 172.434 |
Unit cell angles | 90.00, 131.99, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.900 |
R-factor | 0.2026 |
Rwork | 0.201 |
R-free | 0.24090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ene |
RMSD bond length | 0.006 |
RMSD bond angle | 0.965 |
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] | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.126 | 2.064 |
Number of reflections | 63778 | 3059 |
<I/σ(I)> | 36.4 | 1.87 |
Completeness [%] | 98.9 | 96 |
Redundancy | 5 | 4.7 |
CC(1/2) | 0.980 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 295 | 25% (w/v) PEG 400 100mM Glycine, pH 9.5 100mM Li2NO3 |