4U1A

Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase helix-10 deletion mutant (ISOB-ECI2)

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	2013-05-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	74.440, 95.340, 129.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.850 - 2.850
R-factor	0.17906
Rwork	0.176
R-free	0.23295
RMSD bond length	0.011
RMSD bond angle	1.444
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.850	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.147	0.710
Number of reflections	22266
<I/σ(I)>	9.9	2.8
Completeness [%]	99.6	97.6
Redundancy	5.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	160mM calcium acetate, 0.08M sodium cacodylate pH 6.5, 14.4% PEG8000