7VEF

The structure of GfsA KSQ-AT didomain in complex with a malonate substrate analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	230.580, 230.580, 118.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.630 - 2.650
R-factor	0.203
Rwork	0.200
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vee
RMSD bond length	0.006
RMSD bond angle	1.382
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.790
High resolution limit [Å]	2.650	2.650
Rmerge	0.063	0.701
Number of reflections	34710	5006
<I/σ(I)>	16.1	2.4
Completeness [%]	99.3	99.1
Redundancy	6.3	6.4
CC(1/2)	0.998	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	298	sodium malonate, glycerol, sodium chloride, HEPES