1U05

Crystal structure of protein yfiH from Shigella flexneri, Pfam DUF152

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-01
Detector	BRANDEIS - B4
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	43.683, 50.465, 55.265
Unit cell angles	90.25, 96.51, 90.29

Refinement procedure

Resolution	33.000 - 2.500
R-factor	0.217
Rwork	0.217
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rw0
RMSD bond length	0.010
RMSD bond angle	2.000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.035	0.067
Number of reflections	18477
<I/σ(I)>	13.2
Completeness [%]		95
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Zinc Acetate, Sodium Cacodylate, PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 20K