7ZVD

K89 acetylated glucose-6-phosphate dehydrogenase (G6PD) in a complex with structural NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	F 2 2 2
Unit cell lengths	60.220, 172.220, 216.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.980 - 2.460
R-factor	0.21178
Rwork	0.208
R-free	0.28934
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e08
RMSD bond length	0.011
RMSD bond angle	2.030
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0350)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.980	2.540
High resolution limit [Å]	2.460	2.460
Rmerge	0.033
Rmeas	0.047
Rpim	0.033	0.684
Number of reflections	20737	2315
<I/σ(I)>	13.21
Completeness [%]	99.9
Redundancy	2
CC(1/2)		0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Hepes pH 7.2, 0.2M L-Proline, 20% PEG 3350