6DIO

Structure of class II HMG-CoA reductase from Delftia acidovorans with NAD bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	113.000, 113.000, 437.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.861 - 2.140
R-factor	0.193
Rwork	0.191
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.905
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.860	2.220
High resolution limit [Å]	2.140	2.140
Rmerge	0.098
Number of reflections	92136
<I/σ(I)>	5.4
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM sodium citrate, pH 5.0, 0.5 M ammonium sulfate, 0.6 M lithium sulfate