5VG7

Crystal Structure of the R503Q 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	2016-02-02
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 41 21 2
Unit cell lengths	172.131, 172.131, 99.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.857 - 1.950
R-factor	0.171520290168
Rwork	0.169
R-free	0.21294
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epc
RMSD bond length	0.007
RMSD bond angle	0.812
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.950	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.140	1.902
Rpim	0.038	0.526
Number of reflections	108994	5314
<I/σ(I)>	15.1	1.5
Completeness [%]	100.0	99.9
Redundancy	14.3	14
CC(1/2)	0.999	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M Tris/HCl pH:7.5, 1.8 M Ammonium Sulfate, 16mg/mL