3ZNU

Crystal structure of ClcF in crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	78.242, 103.574, 141.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.828 - 1.650
R-factor	0.1584
Rwork	0.157
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mli
RMSD bond length	0.012
RMSD bond angle	1.416
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.050	0.510
Number of reflections	138381
<I/σ(I)>	19.3	2.64
Completeness [%]	99.6	98.6
Redundancy	5.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1