1GZ6

(3R)-HYDROXYACYL-COA DEHYDROGENASE FRAGMENT OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 2

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-15
Detector	MARRESEARCH
Wavelength(s)	0.979578,0.979269,0.972433
Spacegroup name	P 1 21 1
Unit cell lengths	89.466, 82.748, 95.745
Unit cell angles	90.00, 94.20, 90.00

Refinement procedure

Resolution	20.000 - 2.380
R-factor	0.197
Rwork	0.197
R-free	0.23600
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	22.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000 *	2.460
High resolution limit [Å]	2.380	2.380
Rmerge	0.103	0.211
Number of reflections	55717	5466 *
<I/σ(I)>	12.9	6.6
Completeness [%]	99.2	98.4
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5	21 *	21 % PEG 6000, 0.2 M LITHIUM SULFATE 0.1 M NA-CACODYLATE, PH 5.5, 10 MM NAD+, 0.23 MM TRITON X-100

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	21 (%(w/v))
2	1	reservoir		0.2 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH5.5
4	1	drop	protein	3.9 (mg/ml)