3NH9

Nucleotide Binding Domain of Human ABCB6 (ATP bound structure)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-29
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	57.152, 65.626, 69.522
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.520 - 2.100
R-factor	0.179
Rwork	0.175
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nh6
RMSD bond length	0.019
RMSD bond angle	1.744
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.520	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.070
Number of reflections	15449	1021
<I/σ(I)>	15.8	2.9
Completeness [%]	97.7	90.4
Redundancy	3.7	3.3

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, 30mM ATP, VAPOR DIFFUSION, HANGING DROP, temperature 298K