1E3S

Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	59.280, 68.960, 69.550
Unit cell angles	64.84, 72.51, 74.98

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.189 *
Rwork	0.189
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hsd
RMSD bond length	0.011
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.059	0.227
Number of reflections	62009
<I/σ(I)>	13	3.1
Completeness [%]	94.9	91.6
Redundancy	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	HANGING DROP PROT: 5MG/ML, 0.75 MM NADH, 50 MM NACL, 10 MM HEPES PH 7.5 WELL: 30% PEG 4000, 0.2 M LI SO4, 0.1 M TRIS PH 8.5. 18 C

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	30 (%(w/v))
2	1	reservoir		0.2 (M)
3	1	reservoir	Tris	0.1 (M)
4	1	drop	protein	5 (mg/ml)
5	1	drop	NADH	750 (M)
6	1	drop		50 (mM)
7	1	drop	HEPES	10 (mM)