7T93

Crystal Structure of Fumarate hydratase class II from Mycobacterium ulcerans in complex with L-Malate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-09-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	98.040, 120.820, 158.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.480 - 1.650
R-factor	0.1378
Rwork	0.138
R-free	0.16070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qbp
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20-4438)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.480	48.480	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.109	0.045	0.553
Rmeas	0.118	0.050	0.602
Total number of observations	1402855
Number of reflections	225586	2737	16540
<I/σ(I)>	11.91	28.24	3.25
Completeness [%]	99.9	98.8	99.6
Redundancy	6.219	5.713	6.203
CC(1/2)	0.998	0.998	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	[Protein: MyulA.01507.a.A1.PW29760 25mg/mL] [Barcode: 321232f4] [Collection: aps21idf 9/23/21] [Crystallization conditions: Molecular Dimensions Morpheus sparse matrix screen, condition F4: 0.1M MES/Imidazole pH 6.5, 12.5%(w/v) PEG 1000, 12.5%(w/v) PEG 3350, 12.5%(v/v) MPD, 0.02M each of (D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, N-acetyl-D-glusosamine)] [Cryo: Direct]