6HS3

Crystal structure of an ABC transporter related protein from Burkholderia pseudomallei

Replaces:  6FLX

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	2017-02-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.968580
Spacegroup name	P 21 21 21
Unit cell lengths	52.787, 74.228, 124.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.510 - 2.400
R-factor	0.20817
Rwork	0.205
R-free	0.26999
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wbs
RMSD bond length	0.008
RMSD bond angle	1.253
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.490	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.119	0.792
Rmeas	0.159	0.941
Rpim	0.103	0.496
Number of reflections	19107	1977
<I/σ(I)>	10.2	5.8
Completeness [%]	97.0	98
Redundancy	3.8	3.7
CC(1/2)	0.982	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	Protein buffer: 50 mM HEPES pH 7.0, 150 mM NaCl, 5 mM MgCl2, 500 uM ATP Crystallisation condition: 0.2 M MgCl2, 0.1 M Tris-HCL pH 8.5, 30 % w/v PEG 4000