9JWQ

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

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 1 21 1
Unit cell lengths	34.158, 56.263, 64.770
Unit cell angles	90.00, 95.12, 90.00

Refinement procedure

Resolution	42.400 - 1.900
R-factor	0.2087
Rwork	0.206
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.639
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]	64.510	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.093	0.636
Rpim	0.064	0.451
Number of reflections	19105	1036
<I/σ(I)>	11	2
Completeness [%]	98.4
Redundancy	5.7
CC(1/2)	0.998	0.748

Crystallization Conditions

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