9VDG

Structure of a truncated loopB mutant from the human gut flora K. grimontii Apg

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	2025-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	62.364, 70.890, 130.304
Unit cell angles	92.54, 100.14, 90.08

Refinement procedure

Resolution	48.620 - 2.670
R-factor	0.2407
Rwork	0.239
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.620	2.750
High resolution limit [Å]	2.670	2.670
Rmerge		0.086
Number of reflections	56672	4734
<I/σ(I)>	7.3	2.1
Completeness [%]	90.9
Redundancy	3.7
CC(1/2)	0.993	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289.15	0.1 M Citric acid pH 5.0 5% w/v Polyethylene glycol 6000