3P9V

High Resolution Crystal Structure of protein Maqu_3174 from Marinobacter aquaeolei, Northeast Structural Genomics Consortium Target MqR197

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	2010-10-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.97908
Spacegroup name	P 21 21 21
Unit cell lengths	55.260, 55.600, 102.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.828 - 1.780
R-factor	0.2
Rwork	0.197
R-free	0.24000
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AutoSol
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.780	1.780
Rmerge	0.052	0.432
Number of reflections	55882
<I/σ(I)>	19.6	1.8
Completeness [%]	95.4	75.5
Redundancy	2.5	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	macrobatch under oil	6	293	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution:ammonium thiocyanate 0.1M, MES 0.1M, PEG 4000 20% (W/V), macrobatch under oil, temperature 293K