6A02

Salmonella Typhi YfdX in the F222 space group at 1.4 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	93
Detector technology	CCD
Collection date	2016-03-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	F 2 2 2
Unit cell lengths	88.831, 92.459, 95.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.045 - 1.400
R-factor	0.1899
Rwork	0.189
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dza
RMSD bond length	0.005
RMSD bond angle	0.713
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Rpim	0.029	0.113
Number of reflections	38242	1853
<I/σ(I)>	41.3
Completeness [%]	98.8
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M sodium acetate (pH 4.6), 2.5 M sodium chloride, 12% PEG1500, 1.5% 2-methyl-2,4-pentanediol