6SNP

Crystal structures of human PGM1 isoform 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	72.339, 53.382, 76.066
Unit cell angles	90.00, 100.15, 90.00

Refinement procedure

Resolution	43.466 - 2.750
R-factor	0.2117
Rwork	0.209
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.515
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.470	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.174	0.797
Rmeas		0.896
Rpim	0.090	0.404
Number of reflections	15078	2194
<I/σ(I)>	6.9	2
Completeness [%]	99.7
Redundancy	5
CC(1/2)	0.984	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	Magnesium chloride, Polyethylene glycol monomethyl ether 550