5DNI

Crystal structure of Methanocaldococcus jannaschii Fumarate hydratase beta subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-08-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 61
Unit cell lengths	85.610, 85.610, 121.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.022 - 2.300
R-factor	0.183
Rwork	0.181
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2isb
RMSD bond length	0.008
RMSD bond angle	1.176
Data reduction software	SCALA
Data scaling software	SCALA (CCP4_3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.920	60.920	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.127	0.040	0.860
Rmeas	0.143
Total number of observations	109381	3580	15166
Number of reflections	22550
<I/σ(I)>	7.0091
Completeness [%]	100.0	99.73	100
Redundancy	4.85	4.81	4.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	298	0.1MBis-Tris, 25% PEG 3350