5H1N

Crystal structure of SF173 from Shigella flexneri

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]	100
Detector technology	CCD
Collection date	2014-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	I 2 3
Unit cell lengths	110.244, 110.244, 110.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.862 - 1.470
R-factor	0.2063
Rwork	0.205
R-free	0.22250
RMSD bond length	0.015
RMSD bond angle	1.541
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.862	1.500
High resolution limit [Å]	1.470	1.470
Number of reflections	35663
<I/σ(I)>	1.34
Completeness [%]	94.1
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	sodium citrate tribasic, CHES/sodium hydroxide pH7.5