3NGW

Crystal Structure of Molybdopterin-guanine dinucleotide biosynthesis protein A from Archaeoglobus fulgidus, Northeast Structural Genomics Consortium Target GR189

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	2010-06-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97908
Spacegroup name	I 21 3
Unit cell lengths	116.100, 116.100, 116.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.910 - 2.310
R-factor	0.187
Rwork	0.183
R-free	0.22600
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SnB (followed by SOLVE/RESOLVE)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.093	0.498
Number of reflections	21953
<I/σ(I)>	20.05	2.96
Completeness [%]	98.7	100
Redundancy	5.1	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1M Bis-Tris Propane (pH 7), 20% (W/V) PEG 8k, 0.1M calcium chloride dihydrate, and 20% ethylene glycol as the cryo-protectant, Microbatch, under oil, temperature 277K