6MFD

GphF GNAT-like decarboxylase in complex with isobutyryl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	134.427, 145.473, 77.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.614 - 2.794
R-factor	0.245
Rwork	0.243
R-free	0.28280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mfc
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.614	45.614	2.960
High resolution limit [Å]	2.790	8.280	2.790
Rmerge	0.176	0.035	1.695
Rmeas	0.190	0.038	1.831
Total number of observations	128906
Number of reflections	19080	804	2962
<I/σ(I)>	9.88	40.61	1.3
Completeness [%]	99.5	98.7	97.5
Redundancy	6.756	6.175	6.959
CC(1/2)	0.998	0.999	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30-35% PEG 3350, 0.23-0.3 M Ammonium Acetate, 0.1 M BisTris HCl pH 5.5, 2.5 mM isobutyryl-CoA