9RAZ

Streptococcus pyogenes GapN in complex with NADP and glyceraldehyde-3-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-10
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	97.150, 97.435, 100.710
Unit cell angles	77.06, 78.19, 68.92

Refinement procedure

Resolution	48.620 - 1.380
R-factor	0.1553
Rwork	0.154
R-free	0.17920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.743
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.620	1.481
High resolution limit [Å]	1.375	1.375
Rmerge	0.054	0.811
Rmeas	0.063	0.966
Rpim	0.033	0.518
Number of reflections	528663	26426
<I/σ(I)>	10.3	1.5
Completeness [%]	76.4	19.1
Redundancy	3.5	3.4
CC(1/2)	0.998	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	0.15-0.2 M (NH4)3-citrate 21-23% PEG 3350