4QSE

Crystal structure of ATU4361 sugar transporter from Agrobacterium Fabrum c58, target efi-510558, with bound glycerol

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	2014-05-29
Detector	ADSC QUANTUM 315
Spacegroup name	P 1
Unit cell lengths	36.088, 67.538, 75.960
Unit cell angles	90.00, 90.11, 90.74

Refinement procedure

Resolution	50.000 - 1.370
R-factor	0.1188
Rwork	0.118
R-free	0.14811
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.275
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.390
High resolution limit [Å]	1.370	1.370
Rmerge	0.067	0.179
Number of reflections	277288
<I/σ(I)>	21.1	5.8
Completeness [%]	92.0	88.9
Redundancy	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6		2.07 CRYSTALLIZATION CONDITIONS, PROTEIN: 10 MM BIS-TRIS, 500 MM NACL, 10% GLYCEROL, 5 MM DTT, TEV PROTEASE (1:100 RATIO); RESERVOIR: 0.085 M SODIUM ACETATE, PH 4.6, 0.017 M AMMONIUM ACETATE, 25% PEG4000, 15% (VOL/VOL/ GLYCEROL, VAPOR DIFFUSION, SITTING DROP