3HN0

CRYSTAL STRUCTURE OF AN ABC TRANSPORTER (BDI_1369) FROM PARABACTEROIDES DISTASONIS AT 1.75 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97889
Spacegroup name	P 21 21 21
Unit cell lengths	47.627, 97.755, 114.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.709 - 1.750
R-factor	0.172
Rwork	0.170
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.506
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.709	29.710	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.077	0.050	0.435
Total number of observations		2212	14546
Number of reflections	54325
<I/σ(I)>	6.144	11.1	1.8
Completeness [%]	99.6	96.9	99
Redundancy	3.7	3.3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	0.2000M NH4H2PO4, 20.0000% PEG-3350, No Buffer pH 4.6, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K