2HDB

HMG-CoA synthase from Enterococcus faecalis. Mutation alanine 110 to glycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-20
Detector	MAR CCD 165 mm
Wavelength(s)	1.24
Spacegroup name	I 2 2 2
Unit cell lengths	105.310, 109.690, 141.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.920 - 2.200
R-factor	0.192
Rwork	0.192
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HMG-CoA Synthase native structure from Enterococcus faecalis PDB 1X9E.
RMSD bond length	0.007
RMSD bond angle	1.400
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	41829
<I/σ(I)>	26.4	6.4
Completeness [%]	99.9	100
Redundancy	7.4	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	290	2.2M ammonium sulfate, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 290K