7MIW

Crystal Structure of Fumarate hydratase class II from Elizabethkingia anophelis NUHP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	59.760, 92.650, 98.430
Unit cell angles	116.15, 107.67, 90.03

Refinement procedure

Resolution	35.940 - 1.250
R-factor	0.1245
Rwork	0.124
R-free	0.14720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb 3tv2 chain A in three domains as per Morda
RMSD bond length	0.006
RMSD bond angle	0.918
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (dev_4205)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.280
High resolution limit [Å]	1.250	5.590	1.250
Rmerge	0.038	0.023	0.266
Rmeas	0.044	0.027	0.318
Number of reflections	465944	5340	33117
<I/σ(I)>	20.17	46.35	4.32
Completeness [%]	94.2	96	90.6
Redundancy	3.876	3.729	3.33
CC(1/2)	0.999	0.998	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	Rigaku Reagents JCSG TOP96 screen, condition #61/F1: 20% PEG 3350, 200mM Ammonium formate: ElanA.00047.b.B1.PS38159 at 25mg/ml: tray 318833 F1: cryo: 20% EG: puck NDH4-7.