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