8JG3

Biosynthetic thiolase from Clostridium kluyveri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 31 2 1
Unit cell lengths	73.568, 73.568, 273.996
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.650 - 2.000
R-factor	0.20962
Rwork	0.209
R-free	0.23954
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.407
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.030	0.349
Rmeas	0.042	0.494
Rpim	0.030	0.349
Number of reflections	58118	4835
<I/σ(I)>	20.85	1.9
Completeness [%]	97.8	82.77
Redundancy	2	1.8
CC(1/2)	0.999	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	20% PEG 3350 and 0.2M Ammonium iodide