5TR2

Crystal structure of the D263G 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	2016-10-01
Detector	RDI CMOS_8M
Wavelength(s)	1.00001
Spacegroup name	P 41 21 2
Unit cell lengths	172.124, 172.124, 99.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.844 - 2.500
R-factor	0.2236
Rwork	0.220
R-free	0.29190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epc
RMSD bond length	0.010
RMSD bond angle	1.066
Data reduction software	XDS (VERSION May 1, 2016 BUILT=20160517)
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.370	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.194	2.027
Number of reflections	44375
<I/σ(I)>	16.3	1.3
Completeness [%]	85.4	100
Redundancy	14	13.7
CC(1/2)	0.998	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	1.6 M Ammonium Sulfate, 0.1 M NaCl, and 0.1 M HEPES pH 7.5