6E12

Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141

Replaces:  3KB4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-14
Detector	MAR CCD 165 mm
Wavelength(s)	0.97885
Spacegroup name	I 2 2 2
Unit cell lengths	113.308, 112.918, 167.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.536 - 2.400
R-factor	0.1743
Rwork	0.172
R-free	0.19900
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.913
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.536	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.056	0.250
Number of reflections	39307	7913
<I/σ(I)>	19.1	3.6
Completeness [%]	92.8	96.6
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution: 100mM Citric Acid (pH 5) and 1.6M (NH4)2SO4, microbatch under oil, temperature 277K