8S4E

Dimeric Alpha-beta barrel protein from Brassica rapa subsp.pekinensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2023-11-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97630
Spacegroup name	P 32 2 1
Unit cell lengths	92.370, 92.370, 70.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.100 - 1.980
R-factor	0.17237
Rwork	0.170
R-free	0.20683
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.819
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.100	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.140	1.580
Rpim	0.150	0.970
Number of reflections	24712	1696
<I/σ(I)>	13.8	1.4
Completeness [%]	100.0
Redundancy	20.4
CC(1/2)	1.000	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	500 mM Bis-tris propane pH 6.5; 40% (w/v) PEG 3350; 500 mM NaI