6N1M

Crystal structure of Fumarate hydratase class II from Legionella pneumophila Philadelphia 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-30
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	58.230, 122.080, 128.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.284 - 1.550
R-factor	0.144
Rwork	0.143
R-free	0.16490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tv2 as per MORDA
RMSD bond length	0.009
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((dev_3304))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.284	44.284	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.033	0.017	0.368
Rmeas	0.036	0.018	0.444
Total number of observations	499400
Number of reflections	66283	844	4373
<I/σ(I)>	32.36	110.82	3.17
Completeness [%]	99.2	99.4	89.5
Redundancy	7.534	12.897	3.033
CC(1/2)	1.000	1.000	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285	Micolytic MCSG1 screen, D1: 200mM Ammonium sulfate, 25% PEG 3350, 100mM BisTris/HCl pH 6.5: LepnA.01128.a.B1.PS38406 at 17.9mg/ml: cryo: 20% EG: tray 299629d1: puck idj7-6.a