1TO3

Structure of yiht from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-19
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	I 41 2 2
Unit cell lengths	141.144, 141.144, 102.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.18018
Rwork	0.179
R-free	0.20825
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.467
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.123	0.324
Number of reflections	14427
<I/σ(I)>	9.4	4.14
Completeness [%]	99.2	99.6
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	2% PEG 4000, 0.1M Cacodylate pH 6.5, 1.5M NaKPhosphate pH 8.5, 8% Glycerol; Cryoprotectant - 2% PEG 4000, 0.1M Cacodylate pH 6.5, 1.5M NaKPhosphate pH 8.5, 30% Glycerol, 1M NaBr, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K