3KCU

Structure of formate channel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	101.378, 107.934, 163.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.989 - 2.243
R-factor	0.205
Rwork	0.203
R-free	0.23200
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.995
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	39.989
High resolution limit [Å]	2.243
Rmerge	0.063
Number of reflections	85366
<I/σ(I)>	21.6
Completeness [%]	99.4
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M MOPS, pH 7.5, 36% (w/v) PEG 400, 200mM NaCl or sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 291K