4R6Y

Crystal structure of solute-binding protein stm0429 from salmonella enterica subsp. enterica serovar typhimurium str. lt2, target efi-510776, a closed conformation, in complex with glycerol and acetate

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	2014-07-18
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	55.185, 67.601, 77.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.220
R-factor	0.11469
Rwork	0.114
R-free	0.14781
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	1.914
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.062	0.500
Number of reflections	85094
<I/σ(I)>	25.9	2.1
Completeness [%]	98.0	77.4
Redundancy	6.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	PROTEIN: 10 MM BIS-TRIS, 500 MM NACL, 5% GLYCEROL, 5 MM DTT, TEV PROTEASE (1:100); RESERVOIR: 0.17 M AMMONIUM ACETATE, 0.085 M SODIUM CITRATE:HCL, PH 5.6, 25% PEG4000, 15% GLYCEROL; VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K