3ESI

Crystal structure of an uncharacterized protein from Erwinia carotovora subsp. atroseptica. Northeast Structural Genomics target EwR179

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	2008-07-24
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 41
Unit cell lengths	71.141, 71.141, 146.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.050 - 2.500
R-factor	0.244
Rwork	0.244
R-free	0.26300
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.054	0.249
Number of reflections	49294
<I/σ(I)>	14	14
Completeness [%]	100.0	100
Redundancy	6.5	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	293	peg4k, 200mM NH4Acetate, 100mM Na3citrate ph5.6, temperature 293K
1		5.6	293	peg4k, 200mM NH4Acetate, 100mM Na3citrate ph5.6, temperature 293K