7C18

Crystal structure of FumaraseC from Mannheimia succiniciproducens in complex with Fumarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	59.089, 104.276, 125.333
Unit cell angles	90.00, 94.10, 90.00

Refinement procedure

Resolution	32.570 - 2.120
R-factor	0.1874
Rwork	0.185
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yfe
RMSD bond length	0.010
RMSD bond angle	1.698
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.122	0.082	0.273
Rmeas	0.134	0.089	0.313
Rpim	0.055	0.034	0.150
Total number of observations	403604
Number of reflections	83884	4371	4092
<I/σ(I)>	11.1
Completeness [%]	97.9	99.3	96.3
Redundancy	4.8	6.5	3.8
CC(1/2)		0.992	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	20% polyethylene glycol 3350, 0.2M Potassium fluoride