6UO6

Crystal Structure of the R422Q missense variant of human PGM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-12-11
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 41 21 2
Unit cell lengths	171.804, 171.804, 99.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.610 - 2.150
R-factor	0.1772
Rwork	0.175
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epc
RMSD bond length	0.006
RMSD bond angle	0.780
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.610	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.161	1.725
Rpim	0.064	0.811
Number of reflections	80932	4515
<I/σ(I)>	104.3	1.4
Completeness [%]	100.0	100
Redundancy	13.9	10.6
CC(1/2)	0.998	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1.7-1.95 ammonium sulfate, 0.1 M Tris HCl, pH 8.0