7XKY

Crystal structure of Methanocaldococcus jannaschii two-subunit Fumarate hydratase apo-protein complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	116.949, 61.700, 83.880
Unit cell angles	90.00, 123.90, 90.00

Refinement procedure

Resolution	52.130 - 2.460
R-factor	0.18586
Rwork	0.184
R-free	0.22394
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.825
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.620	2.590
High resolution limit [Å]	2.460	2.460
Rmerge	0.124	0.525
Number of reflections	17961	2578
<I/σ(I)>	11.2
Completeness [%]	98.4
Redundancy	7.9
CC(1/2)	0.995	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		297	0.2 M magnesium chloride hexahydrate, 0.1 M BIS-TRIS, pH 5.5, 25% w/v polyethylene glycol 3,350