1ZEJ

Crystal structure of the 3-hydroxyacyl-coa dehydrogenase (hbd-9, af2017) from archaeoglobus fulgidus dsm 4304 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-31
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97929,0.89194
Spacegroup name	P 6 2 2
Unit cell lengths	146.331, 146.331, 62.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.000 - 2.000
R-factor	0.18088
Rwork	0.179
R-free	0.22100
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.537
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.070	29.070	2.050
High resolution limit [Å]	2.000	8.940	2.000
Number of reflections	27230
<I/σ(I)>	5.7	10.6	1.6
Completeness [%]	100.0	97.3	100
Redundancy	10.8	8.6	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		293	0.08M Tris_base, 0.20M Mg Cl, 0.02M Tris Cl, 24.00% PEG 400, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K