7XHL

Complex structure of a Glucose 6-Phosphate Dehydrogenase from Zymomonas mobilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	80.316, 342.335, 103.355
Unit cell angles	90.00, 92.66, 90.00

Refinement procedure

Resolution	78.110 - 3.250
R-factor	0.248
Rwork	0.237
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e08
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.410	88.410	3.310
High resolution limit [Å]	3.250	17.200	3.250
Rmerge	0.148	0.093	0.666
Rmeas	0.180	0.122	0.807
Rpim	0.100	0.077	0.450
Total number of observations	269015	1165	14202
Number of reflections	86216	504	4574
<I/σ(I)>	6.4	12	1.8
Completeness [%]	98.9	82.7	99.4
Redundancy	3.1	2.3	3.1
CC(1/2)	0.976	0.930	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M di-Ammonium hydrogen Phosphate, 0.1 M Tris Hydrochloride pH 8.5, 14% w/v PEG 6000