1F12

L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH 3-HYDROXYBUTYRYL-COA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-12
Detector	APS-1
Spacegroup name	P 21 21 21
Unit cell lengths	50.040, 88.100, 167.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
Rwork	0.212
R-free	0.26500
RMSD bond length	0.006
RMSD bond angle	20.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.3)
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.067	0.474
Number of reflections	29550
<I/σ(I)>	20.4
Completeness [%]	99.7	99.7
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Barycki, J.J., (1999) Biochemistry, 38, 5786. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	NAD+	5 (mM)
3	1	reservoir	N-[2-acetamido]-2-iminodiacetic acid	50 (mM)
4	1	reservoir	PEG4000	14-19 (%)