4QSD

Crystal structure of atu4361 sugar transporter from Agrobacterium Fabrum C58, target efi-510558, with bound sucrose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-05
Detector	PSI PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	36.025, 76.564, 67.873
Unit cell angles	90.00, 90.21, 90.00

Refinement procedure

Resolution	50.000 - 1.340
R-factor	0.122
Rwork	0.121
R-free	0.15100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qsc
RMSD bond length	0.021
RMSD bond angle	1.936
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.360
High resolution limit [Å]	1.340	1.340
Rmerge	0.037	0.460
Number of reflections	80477
<I/σ(I)>	13.2	2.8
Completeness [%]	97.9	52.2
Redundancy	4.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5		2.09 CRYSTALLIZATION CONDITIONS, PROTEIN: 10 MM BIS-TRIS, 500 MM NACL, 5% GLYCEROL, 5 MM DTT, TEV PROTEASE (1:100 RATIO); RESERVOIR: 0.1M TRIS-HCL, PH 8.5, 30% PEG400; CRYOPROTECTION: RESERVOIR PLUS 200MM SUCROSE; VAPOR DIFFUSION, SITTING DROP