7JJ0

GTP-specific succinyl-CoA synthetase complexed with Mg-GMPPCP

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
Unit cell lengths	99.311, 99.311, 133.512
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	86.010 - 2.250
R-factor	0.2363
Rwork	0.235
R-free	0.26510
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]	133.510	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.139	2.305
Rpim	0.069	1.159
Number of reflections	69914	3417
<I/σ(I)>	7.3	0.4
Completeness [%]	100.0
Redundancy	5.1
CC(1/2)	0.907	0.371

Crystallization Conditions

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