3DWN

Crystal structure of the long-chain fatty acid transporter FadL mutant A77E/S100R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-22
Detector	ADSC QUANTUM 210
Wavelength(s)	1.10
Spacegroup name	P 21 21 21
Unit cell lengths	63.093, 147.048, 151.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.239
Rwork	0.239
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t16
RMSD bond length	0.007
RMSD bond angle	1.457
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.082	0.475
Number of reflections	48653
<I/σ(I)>		3
Completeness [%]	97.5	97.1
Redundancy	5.1	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	16% PEG 4000, 0.1M sodium chloride, 0.1M citrate , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K