9V7Y

Crystal structure of class II HMG-CoA reductase from Ruegeria pomeroyi(Silicibacter pomeroyi))

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	71.686, 180.506, 203.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.090 - 2.640
R-factor	0.2003
Rwork	0.198
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.099
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.090	2.734
High resolution limit [Å]	2.640	2.640
Rmerge	0.046	0.046
Number of reflections	78635	7784
<I/σ(I)>	10.03
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.996	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.1 M BIS-TRIS propane, pH 9.0, 30% Polyethylene glycol 6000