3SPS

Crystal Structure of Apo-Hexameric Acyl-CoA Thioesterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-10-01
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	71.179, 78.544, 187.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.570 - 2.900
R-factor	0.23405
Rwork	0.231
R-free	0.28671
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vpm
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.900
Number of reflections	23985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	290	22 % PEG 3350, 0.13-0.17 M sodium formate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K