6SNQ

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	2014-11-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	73.262, 53.155, 76.825
Unit cell angles	90.00, 99.14, 90.00

Refinement procedure

Resolution	48.630 - 2.700
R-factor	0.2079
Rwork	0.206
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.481
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]	48.630	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.082	0.560
Rmeas	0.092	0.632
Rpim	0.043	0.286
Number of reflections	16247	2160
<I/σ(I)>	13.1
Completeness [%]	99.6
Redundancy	4.6
CC(1/2)	0.997	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	KCl, MgCl2, Na cacodylate pH 6.5 and PEG4000