7S0W

Crystal structure of the T337M variant of human PGM-1

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	2018-12-08
Detector	RDI CMOS_8M
Wavelength(s)	1.00001
Spacegroup name	P 41 21 2
Unit cell lengths	171.693, 171.693, 99.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.570 - 2.500
R-factor	0.2173
Rwork	0.214
R-free	0.26960
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5epc
RMSD bond length	0.007
RMSD bond angle	0.903
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.570	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.098	1.700
Rmeas	0.110	1.835
Rpim	0.039	0.688
Number of reflections	51770	4417
<I/σ(I)>	17.2	1.4
Completeness [%]	100.0	100
Redundancy	13.7	13.8
CC(1/2)	0.999	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.8 M ammonium sulfate, 0.1 M MES, pH 6.5, 0.01 cobalt chloride