6O9V

KirBac3.1 mutant at a resolution of 3.1 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-21
Detector	ADSC QUANTUM 315
Wavelength(s)	.9537
Spacegroup name	P 21 21 2
Unit cell lengths	83.298, 114.683, 89.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.728 - 3.094
R-factor	0.2503
Rwork	0.248
R-free	0.29360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xl4
RMSD bond length	0.003
RMSD bond angle	0.706
Data reduction software	XDS
Data scaling software	TRUNCATE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.270	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.220
Rmeas		2.170
Number of reflections	17691	2785
<I/σ(I)>	12.6	1.1
Completeness [%]	99.0
Redundancy	11.5
CC(1/2)	0.999	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	292	13% (w/v) PEG MME 2000, 0.1 M TRIS HCl, pH 7.1, 0.1 M CaCl2 and 1% (w/v) LDAO