5Y2U

X-ray structure of Phosphoglycerate Mutase 1(PGAM1) complexed with a small molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	82.640, 85.267, 102.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.544 - 1.980
R-factor	0.2011
Rwork	0.200
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gpi
RMSD bond length	0.008
RMSD bond angle	1.157
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.050
High resolution limit [Å]	1.980	4.260	1.980
Rmerge	0.076	0.046	0.778
Number of reflections	47430	5211	4606
<I/σ(I)>	11.4
Completeness [%]	92.2	96	90.8
Redundancy	6.8	7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	8% PEG3350 100mM MES 6.0