4LP8

A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KirBac3.1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97780
Spacegroup name	P 4 21 2
Unit cell lengths	105.650, 105.650, 89.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.820 - 2.460
R-factor	0.1832
Rwork	0.180
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zrs
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.710	2.590
High resolution limit [Å]	2.460	2.460
Rmerge	0.082	0.010
Number of reflections	19087
<I/σ(I)>	6.8	2
Completeness [%]	100.0	100
Redundancy	9	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	10% (v/v) glycerol, 90 mM HEPES, 20% (v/v) PEG 400, 5% (w/v) PEG 4000, 2.5% (w/v) PEG 8000, 10mM spermidine, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K