7SEI

Glucose-6-phosphate 1-dehydrogenase (K403Q)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	157.730, 157.730, 113.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.430 - 3.650
R-factor	0.1935
Rwork	0.191
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6va8
RMSD bond length	0.007
RMSD bond angle	1.733
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.430	39.430	3.740
High resolution limit [Å]	3.650	16.320	3.650
Rmerge	0.213	0.039	2.745
Rmeas	0.217	0.040	2.796
Total number of observations	438256
Number of reflections	16483	209	1214
<I/σ(I)>	15.3	76.32	1.65
Completeness [%]	99.9	91.7	100
Redundancy	26.588	21.115	27.375
CC(1/2)	0.999	1.000	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	PEG8K