8I4Q

Crystal structure of 6-phosphogluconate dehydrogenase from Corynebacterium glutamicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	64.004, 119.471, 153.446
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.840 - 1.900
R-factor	0.16601
Rwork	0.164
R-free	0.20217
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.643
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.078	0.052	0.377
Rmeas	0.086	0.058	0.416
Rpim	0.036	0.025	0.172
Total number of observations	513783
Number of reflections	92594	4908	4501
<I/σ(I)>	13.3
Completeness [%]	99.0	97.8	97.4
Redundancy	5.5	5.5	5.5
CC(1/2)	0.992	0.996	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Magnesium formate dihydrate