7N7S

Crystal Structure of Hydroxymethylglutaryl-CoA reductase from Elizabethkingia anophelis NUHP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-07
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	183.850, 206.670, 90.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.260 - 2.400
R-factor	0.1537
Rwork	0.153
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wpjA as per Morda
RMSD bond length	0.005
RMSD bond angle	0.701
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.19 4224)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.079	0.036	0.560
Rmeas	0.085	0.039	0.596
Number of reflections	135029	1660	9870
<I/σ(I)>	19.24	45.53	3.92
Completeness [%]	100.0	97.8	100
Redundancy	8.357	7.081	8.453
CC(1/2)	0.999	0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	287	Anatrace / Calibre Top96 screen, condition F1: 200 mM potassium sodium tartrate, 100 mM sodium citrate / citric acid pH 5.6, 2 M ammonium sulphate: ElanA.19063.a.B1.PS38245 at 23.3 mg/ml: tray 290979 F1: cryo: 25% EG: puck ywm0-9.