5M1R

X-ray structure of human G166D PGK-1 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-13
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.872900
Spacegroup name	P 1 21 1
Unit cell lengths	35.721, 105.570, 50.002
Unit cell angles	90.00, 97.76, 90.00

Refinement procedure

Resolution	52.780 - 1.640
R-factor	0.16601
Rwork	0.164
R-free	0.20095
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zgv
RMSD bond length	0.012
RMSD bond angle	1.667
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	1.740
High resolution limit [Å]	1.640	1.640
Rmerge	0.097	0.570
Number of reflections	44562
<I/σ(I)>	7.84	1.82
Completeness [%]	98.7	97.3
Redundancy	3.7	3.7
CC(1/2)	0.993	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	Sodium Citrate, 1.6 M