6KI1

The transmembrane domain of a cyanobacterium bicarbonate transporter BicA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-17
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	0.97923
Spacegroup name	P 1 21 1
Unit cell lengths	51.813, 103.346, 81.521
Unit cell angles	90.00, 95.40, 90.00

Refinement procedure

Resolution	29.277 - 2.809
R-factor	0.2289
Rwork	0.227
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iof
RMSD bond length	0.014
RMSD bond angle	2.339
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.900
High resolution limit [Å]	2.800	6.020	2.800
Rmerge	0.138	0.044	0.907
Rmeas	0.147	0.048
Rpim	0.061	0.019	0.495
Total number of observations	117334
Number of reflections	20636	2135	1881
<I/σ(I)>	4.7
Completeness [%]	98.6	99.6	90.4
Redundancy	5.7	6.2	3.5
CC(1/2)		0.996	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1M NaCl, 0.1 M Li2SO4, 0.1 M Na-citrate, pH5.0, 30% PEG600