9K3C

Crystal Structure of CapA2 from Alistipes finegoldii in complex with PLP cofactor

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	2024-04-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	68.821, 88.511, 95.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.848 - 2.380
R-factor	0.1857
Rwork	0.182
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.886
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.390	2.465
High resolution limit [Å]	2.380	2.380
Number of reflections	23687	43738
<I/σ(I)>	5.8
Completeness [%]	99.0
Redundancy	5.66
CC(1/2)	0.876	0.876

Crystallization Conditions

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