6HRV

Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	133.160, 81.940, 96.810
Unit cell angles	90.00, 125.81, 90.00

Refinement procedure

Resolution	29.640 - 1.950
R-factor	0.17131
Rwork	0.169
R-free	0.20702
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zbg
RMSD bond length	0.012
RMSD bond angle	1.498
Data reduction software	XDS (July 4, 2012)
Data scaling software	XSCALE (November 3, 2014)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.640	2.050
High resolution limit [Å]	1.950	1.950
Rpim	0.030	0.220
Number of reflections	60799	8507
<I/σ(I)>	15.7	2.94
Completeness [%]	98.4	99.3
Redundancy	3.4	3.4
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	295	100 mM HEPES, pH 6.4, 18% PEG3350, 250 mM sodium acetate