7XR9

Crystal structure of DgpA with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-11-01
Detector	DECTRIS EIGER R 1M
Wavelength(s)	0.9875
Spacegroup name	P 21 21 21
Unit cell lengths	94.330, 128.990, 204.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.501 - 2.420
R-factor	0.2247
Rwork	0.222
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.753
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.574	3.400
High resolution limit [Å]	2.400	2.400
Rmerge	0.168	0.760
Number of reflections	95822	1253
<I/σ(I)>	14.6
Completeness [%]	99.2
Redundancy	16.5
CC(1/2)	0.860	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M magnesium formate and 20% PEG 3350