4I56

HMG-CoA reductase from pseudomonas mevalonii complexed with dithio-HMG-coa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.90
Spacegroup name	I 41 3 2
Unit cell lengths	226.082, 226.082, 226.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.710 - 1.500
R-factor	0.16905
Rwork	0.168
R-free	0.18882
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.745
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	1.690	1.550
High resolution limit [Å]	1.500	1.620	1.500
Number of reflections	150463
Completeness [%]	97.3	99.7	87.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.2M ammonium sulfate, 75mM sodium citrate, 100 mM sodium ADA with microseeding, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K