9K3O

Crystal structure of CapA2 from Alistipes finegoldii in complex with OPS-PLP external aldimine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	291.15
Detector technology	PIXEL
Collection date	2024-05-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	68.550, 88.460, 95.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.275 - 1.430
R-factor	0.157
Rwork	0.157
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.923
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.030	1.481
High resolution limit [Å]	1.430	1.430
Number of reflections	107058	205467
<I/σ(I)>	17
Completeness [%]	99.0
Redundancy	6.2
CC(1/2)	0.800	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	sodium citrate, PEG8000