9KER

Crystal structure analysis of phosphoglycerate kinase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	36.470, 107.000, 51.330
Unit cell angles	90.00, 97.64, 90.00

Refinement procedure

Resolution	34.250 - 2.500
R-factor	0.2338
Rwork	0.232
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.639
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.670	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	13334	1557
<I/σ(I)>	9.3
Completeness [%]	98.4
Redundancy	6.3
CC(1/2)	0.986	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	291.15	1.6 M Sodium citrate tribasic dihydrate