5KOM

The crystal structure of fluoride channel Fluc Ec2 F83I Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 41
Unit cell lengths	87.500, 87.500, 144.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.010 - 2.690
R-factor	0.2177
Rwork	0.217
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a43
RMSD bond length	0.008
RMSD bond angle	1.285
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.010	38.010	2.820
High resolution limit [Å]	2.690	8.920	2.690
Rmerge	0.083	0.020	1.037
Number of reflections	30195
<I/σ(I)>	15.9
Completeness [%]	99.9	97.9	100
Redundancy	7.4	7.3	7.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	295	36% PEG 600, 100 mM ADA, 10 mM HEPES, 100 mM NaF, 50 mM LiNO3