3W15

Structure of peroxisomal targeting signal 2 (PTS2) of Saccharomyces cerevisiae 3-ketoacyl-CoA thiolase in complex with Pex7p and Pex21p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	78.890, 52.750, 97.570
Unit cell angles	90.00, 106.59, 90.00

Refinement procedure

Resolution	32.200 - 1.800
R-factor	0.1908
Rwork	0.189
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.063
Data reduction software	MOSFLM
Data scaling software	SCALA (CCP4_3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.240	32.240	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.066	0.030	0.200
Total number of observations		15719	70702
Number of reflections	71460
<I/σ(I)>	20.2139
Completeness [%]	99.8	97.21	99.24
Redundancy	7.12	6.8	6.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	293	25% PEG2000, 0.3M Magnesium nitrate, 0.1M Tris-HCl, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K