3LRX

Crystal Structure of the C-terminal domain (residues 78-226) of PF1911 hydrogenase from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR246A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97890
Spacegroup name	P 31
Unit cell lengths	77.201, 77.201, 110.036
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.300 - 2.600
R-factor	0.197
Rwork	0.195
R-free	0.25200
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.093	0.443
Number of reflections	43303
<I/σ(I)>	12.3	2.1
Completeness [%]	95.3	92.1
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 100mM Hepes (pH 7), 18% PEG3350, and 100mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 291K