6BX5

The crystal structure of fluoride channel Fluc Ec2 with Monobody S12

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]	77
Detector technology	CCD
Collection date	2015-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999
Spacegroup name	P 41 21 2
Unit cell lengths	105.441, 105.441, 183.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.530 - 3.000
R-factor	0.2247
Rwork	0.223
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kbn
RMSD bond length	0.019
RMSD bond angle	2.069
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.530	91.510	3.180
High resolution limit [Å]	3.000	9.000	3.000
Rmerge	0.162	0.028	1.983
Rmeas	0.165	0.029	2.018
Rpim	0.031	0.006	0.372
Number of reflections	21435	925	3380
<I/σ(I)>	21.1
Completeness [%]	100.0	99.6	100
Redundancy	28.1	25	29.1
CC(1/2)	1.000	1.000	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	295	50 mM ADA-NaOH, 50 mM LiNO3, 34% PEG 400