7JKR

GTP-specific succinyl-CoA synthetase complexed with Mg-GMPPNP, phosphohistidine loop pointing towards nucleotide binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	99.328, 99.328, 134.029
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	86.020 - 2.640
R-factor	0.2435
Rwork	0.241
R-free	0.29240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fp4
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_3885)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.020	2.690
High resolution limit [Å]	2.640	2.640
Rmerge	0.123	2.191
Rpim	0.052	0.938
Number of reflections	23016	1140
<I/σ(I)>	9.3	0.4
Completeness [%]	100.0
Redundancy	6.4
CC(1/2)	0.997	0.298

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	1.0 M sodium citrate, Tris-HCl pH 7.3