9VDW

Structure of truncated loopA and loopB mutants 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	2024-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	62.210, 70.893, 130.330
Unit cell angles	87.64, 79.98, 89.93

Refinement procedure

Resolution	35.420 - 2.380
R-factor	0.2012
Rwork	0.199
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.988
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]	128.230	2.420
High resolution limit [Å]	2.380	2.380
Rmerge		0.099
Number of reflections	85164	4484
<I/σ(I)>	7.4	2.1
Completeness [%]	96.9
Redundancy	3.3
CC(1/2)	0.993	0.636

Crystallization Conditions

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