4FWI

Crystal structure of the nucleotide-binding domain of a dipeptide ABC transporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 43 2 2
Unit cell lengths	64.247, 64.247, 320.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.809 - 2.892
R-factor	0.2146
Rwork	0.212
R-free	0.26790
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.477
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.920	2.990
High resolution limit [Å]	2.892	3.640	2.890
Number of reflections	15715
Completeness [%]	97.5	98.4	90.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	11	291	4%(v/v) 2-propanol, 0.05M capso, 12.25%(w/v) PEG MME5000, 12.5% glycerol, pH 11.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K