2O6K

Crystal structure of UPF0346 from Staphylococcus aureus. Northeast Structural Genomics target ZR218.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97916, 0.97949, 0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	29.223, 52.157, 115.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.208
R-free	0.21700
Structure solution method	MAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	RESOLVE (2.08)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.104	0.059	0.415
Number of reflections	19912
<I/σ(I)>	17.4
Completeness [%]	99.6	99.4	99.9
Redundancy	6	6.2	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	300mM NH4F, 50mM MES pH 6.5, 18% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	300mM NH4F, 50mM MES pH 6.5, 18% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	300mM NH4F, 50mM MES pH 6.5, 18% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K