4KGB

Structure of succinyl-CoA: 3-ketoacid CoA transferase from Drosophila melanogaster

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	76.638, 101.921, 122.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.340 - 2.640
R-factor	0.20707
Rwork	0.204
R-free	0.26073
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 1OOY
RMSD bond length	0.013
RMSD bond angle	1.677
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.640	2.650
Rmerge	0.108	0.338
Number of reflections	28630
<I/σ(I)>	21.7	7
Completeness [%]	99.9	100
Redundancy	5.7	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.2M Lithium sulfate, 0.1M BIS-TRIS pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K