9K2P

The crystal structure of CapA1 from Capnocytophaga ochracea

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 2 2 21
Unit cell lengths	90.830, 107.110, 122.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.922 - 2.080
R-factor	0.1808
Rwork	0.180
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.884
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.816	2.154
High resolution limit [Å]	2.080	2.080
Number of reflections	72122	138137
<I/σ(I)>	8.7
Completeness [%]	99.9
Redundancy	7.9
CC(1/2)	0.863	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	magenesium acetate tetrahydrate, MOPS, PEG8000