7C1C

Crystal structure of FumaraseC from Mannheimia succiniciproducens

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	2018-11-20
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	61.618, 105.512, 125.487
Unit cell angles	90.00, 94.96, 90.00

Refinement procedure

Resolution	28.560 - 1.500
R-factor	0.1406
Rwork	0.139
R-free	0.16500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yfe
RMSD bond length	0.012
RMSD bond angle	1.803
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	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.084	0.057	0.342
Rmeas	0.091	0.062	0.373
Rpim	0.036	0.025	0.147
Total number of observations	1457116
Number of reflections	240435	12867	11734
<I/σ(I)>	11.2
Completeness [%]	94.3	99.2	92.4
Redundancy	6.1	6.3	6
CC(1/2)		0.995	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	20% polyethylene glycol 3350, 0.2M Potassium fluoride