9JWT

De novo designed D-allose binding protein based on 1rpj

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	P 21 21 21
Unit cell lengths	40.496, 43.038, 143.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.970 - 1.600
R-factor	0.1869
Rwork	0.185
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.650	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.099	0.867
Rpim	0.068	0.589
Number of reflections	33452	1598
<I/σ(I)>	9.5	1.9
Completeness [%]	98.7
Redundancy	5.4
CC(1/2)	0.997	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	condition:25% w/v Polythylene glycol 1500