5WPK

Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to HMG-CoA and in a partially closed conformation

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]	90
Detector technology	PIXEL
Collection date	2017-07-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	57.865, 131.248, 57.957
Unit cell angles	90.00, 102.54, 90.00

Refinement procedure

Resolution	19.241 - 2.300
R-factor	0.187
Rwork	0.177
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qae
RMSD bond length	0.003
RMSD bond angle	0.627
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.241	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.151	0.583
Number of reflections	36792	3643
<I/σ(I)>	6.48	1.84
Completeness [%]	98.2	97.98
Redundancy	3.5	3.5
CC(1/2)	0.987	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	100 mM Tris, pH 8.5, 100-250 mM lithium sulfate, 15-25% PEG4000