2PGX

Crystal structure of UPF0341 protein yhiQ from E. coli, Northeast Structural Genomics Target ER585

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97905
Spacegroup name	P 21 21 21
Unit cell lengths	40.987, 74.410, 78.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.280 - 2.000
R-factor	0.228
Rwork	0.228
R-free	0.24300
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.280	2.080
High resolution limit [Å]	2.000	2.000
Rmerge	0.071	0.375
Number of reflections	32618
<I/σ(I)>	23.5	4.62
Completeness [%]	99.4	99.1
Redundancy	6.4	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL	8	293	Protein solution: 20 mM Tris-HCl pH 7.5, 100 mM Sodium chloride, 5 mM DTT. Reservoir solution: 100 mM Tris-HCl pH 8.0, 20% PEG 20000, 100 mM Potassium acetate, MICROBATCH UNDER OIL, temperature 293K