3GD7

Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1158
Spacegroup name	P 21 21 2
Unit cell lengths	137.837, 173.725, 82.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.000 - 2.700
Rwork	0.247
R-free	0.30800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q12
RMSD bond length	0.006
RMSD bond angle	0.948
Data reduction software	d*TREK
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.121	0.566
Number of reflections	55240
<I/σ(I)>	6.4	2.7
Completeness [%]	100.0	100
Redundancy	6.1	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	1.1-1.25 M tri-sodium citrate, pH 5.5-8, sitting drop, temperature 277K, VAPOR DIFFUSION