1CQI

Crystal Structure of the Complex of ADP and MG2+ with Dephosphorylated E. Coli Succinyl-CoA Synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1996-06-08
Detector	FUJI
Spacegroup name	P 43 2 2
Unit cell lengths	99.860, 99.860, 407.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.300
R-factor	0.191
Rwork	0.191
R-free	0.24700
RMSD bond length	0.017
RMSD bond angle	25.000 *
Data reduction software	WEIS
Data scaling software	SCALKB2
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.500
High resolution limit [Å]	3.300	3.300
Rmerge	0.164	0.378
Total number of observations	195264 *
Number of reflections	31753	15389 *
Completeness [%]	99.0	98.4
Redundancy	6.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.3	21 *	AMMONIUM SULFATE, POTASSIUM PHOSPHATE, COENZYME A, pH 7.30, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	1.9 (M)
2	1	1	potassium phosphate	0.1 (M)
3	1	1	dithiothreitol	1 (mM)
4	1	1	CoA	0.1 (mM)
5	1	1	EDTA	0.1 (mM)