6XRU

GTP-specific succinyl-CoA synthetase complexed with desulfo-coenzyme A, magnesium ions and succinates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	86.041, 81.246, 50.386
Unit cell angles	90.00, 104.59, 90.00

Refinement procedure

Resolution	48.760 - 1.400
R-factor	0.1698
Rwork	0.169
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cae
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]	48.760	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.049	0.990
Rpim	0.046	0.891
Number of reflections	130787	6088
<I/σ(I)>	8.2	0.3
Completeness [%]	99.3	93.1
Redundancy	3
CC(1/2)	0.964	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	20% (w/v) P3350, 100 mM MES pH 6.3, 120 mM ammonium succinate pH 7.0