4RJZ

Crystal structure of ATU4361 sugar transporter from Agrobacterium fabrum C58, target EFI-510558, an open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-22
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 2
Unit cell lengths	123.617, 41.263, 70.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.567 - 1.170
R-factor	0.1304
Rwork	0.129
R-free	0.16460
Structure solution method	MR
Starting model (for MR)	4qsc
RMSD bond length	0.009
RMSD bond angle	1.338
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.190
High resolution limit [Å]	1.170	1.170
Rmerge	0.068	0.490
Number of reflections	120823
<I/σ(I)>	21.8	2.5
Completeness [%]	98.4	95.7
Redundancy	7.5	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	10 MM BIS-TRIS, 500 MM NACL, 10% GLYCEROL, 5 MM DTT; RESERVOIR: 0.1M POTASSIUM THIOCYANITE, PH 7.5, 30% PEG MME2000; CRYOPROTECTION: RESERVOIR, VAPOR DIFFUSION, SITTING DROP, temperature 294K