3CTV

Crystal structure of central domain of 3-hydroxyacyl-CoA dehydrogenase from Archaeoglobus fulgidus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-30
Detector	SBC-3
Wavelength(s)	0.97920
Spacegroup name	I 21 3
Unit cell lengths	101.464, 101.464, 101.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.100 - 2.460
Rwork	0.194
R-free	0.24750
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.308
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.100	2.520
High resolution limit [Å]	2.450	2.450
Rmerge	0.077	0.852
Number of reflections	6516
<I/σ(I)>	12.4	2.49
Completeness [%]	99.9	100
Redundancy	14.6	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	2.5 M Ammonium sulfate, 0.1 M Tris buffer, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K