8FBX

Selenosugar synthase SenB from Variovorax paradoxus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9785
Spacegroup name	P 1 2 1
Unit cell lengths	93.000, 68.560, 93.570
Unit cell angles	90.00, 118.13, 90.00

Refinement procedure

Resolution	47.950 - 2.250
R-factor	0.2034
Rwork	0.202
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.450
Data reduction software	XDS (XDS-Apple_M1)
Data scaling software	XDS (XDS-Apple_M1)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.950	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.120	0.604
Rmeas	0.143	0.710
Rpim	0.076	0.370
Number of reflections	48509	4189
<I/σ(I)>	8.31	2.52
Completeness [%]	93.2	84.91
Redundancy	3.5	3.6
CC(1/2)	0.985	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M BTP pH 7, 2.7 M sodium formate