7WUA

Crystal structures of FadD32 from Corynebacterium diphtheriae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9783
Spacegroup name	P 1 21 1
Unit cell lengths	108.647, 97.535, 142.043
Unit cell angles	90.00, 95.93, 90.00

Refinement procedure

Resolution	46.099 - 1.999
R-factor	0.1868
Rwork	0.185
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hm3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	1.999	5.430	2.000
Rmerge	0.110	0.081	0.644
Rmeas	0.124	0.092	0.725
Rpim	0.056	0.042	0.330
Number of reflections	198544	10140	9827
<I/σ(I)>	5.4
Completeness [%]	99.9	99.5	99.7
Redundancy	4.7	4.6	4.7
CC(1/2)		0.991	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	293	0.1 M NaCl, 0.1 M Bis-Tris pH 6.5, 1.5 M (NH4)2SO4 , VAPOR DIFFUSION, Sitting DROP, temperature 293K