5CAE

Succinate bound to pig GTP-specific succinyl-CoA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.97947
Spacegroup name	P 1 21 1
Unit cell lengths	86.670, 81.020, 50.780
Unit cell angles	90.00, 104.90, 90.00

Refinement procedure

Resolution	49.073 - 2.200
R-factor	0.1695
Rwork	0.165
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xx0
RMSD bond length	0.003
RMSD bond angle	0.542
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.073	49.073	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.028	0.466
Rmeas	0.113
Rpim	0.058	0.017	0.284
Total number of observations	122021	3961	16605
Number of reflections	33544
<I/σ(I)>	9.3	20.7	2.6
Completeness [%]	97.0	97.8	94.6
Redundancy	3.6	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	PEG 3350, ammonium succinate, magnesium chloride, CoA, HEPES, pH 7.0