3NH6

Nucleotide Binding Domain of human ABCB6 (apo structure)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	57.229, 68.609, 76.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.300 - 2.000
R-factor	0.182
Rwork	0.180
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ghi
RMSD bond length	0.017
RMSD bond angle	1.512
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.400	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.058
Number of reflections	20977
<I/σ(I)>	37.1	5.2
Completeness [%]	99.9	100
Redundancy	15.1	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M MES pH 6.5, 40% (v/v) PEG400, vapor diffusion, hanging drop, temperature 298K