6HSJ

Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex with CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9174
Spacegroup name	C 1 2 1
Unit cell lengths	132.960, 80.880, 96.470
Unit cell angles	90.00, 126.29, 90.00

Refinement procedure

Resolution	47.590 - 1.460
R-factor	0.15736
Rwork	0.156
R-free	0.17423
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6hrv
RMSD bond length	0.009
RMSD bond angle	1.589
Data reduction software	XDS (November 3, 2014)
Data scaling software	XSCALE (November 3, 2014)
Phasing software	REFMAC (5.8.0232)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.590	1.560
High resolution limit [Å]	1.460	1.460
Rmerge	0.110	0.680
Rpim	0.040	0.190
Number of reflections	140415	25212
<I/σ(I)>	13.7	2.85
Completeness [%]	98.2	98.2
Redundancy	7.5	7.5
CC(1/2)	0.998	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	100 mM HEPES, pH 7.0, 15 % PEG3350, 250 mM sodium acetate