9ILR

The structure of the GmvT-GmvA-AcCoA ternary complex

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	2020-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	67.220, 67.220, 185.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.150 - 2.250
R-factor	0.209
Rwork	0.208
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ak8
RMSD bond length	0.009
RMSD bond angle	1.288
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.650	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.166	2.000
Number of reflections	21054	1532
<I/σ(I)>	15.7	2.4
Completeness [%]	99.9	99.9
Redundancy	24.6	22
CC(1/2)	0.998	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1.4-1.9 M KH2PO4 and 0.1 M HEPES pH 7.0.