8GDN

Structure of PmHMGR bound to mevalonate, CoA and NAD.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	I 41 3 2
Unit cell lengths	226.043, 226.043, 226.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.190 - 1.990
R-factor	0.183
Rwork	0.181
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.073
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.060
High resolution limit [Å]	1.990	4.290	1.990
Rmerge	0.091	0.041	2.975
Rmeas	0.094	0.043	3.095
Rpim	0.022	0.010	0.846
Total number of observations	1095935
Number of reflections	67257	7098	6631
<I/σ(I)>	8
Completeness [%]	100.0	100	99.9
Redundancy	16.3	18.4	13.1
CC(1/2)	0.997	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293.15	1.2 M ammonium sulfate, 100 mM ADA and 10 % glycerol