9TRO

Factor VII Gla domain, X-ray structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XAIRA
Synchrotron site	ALBA
Beamline	XAIRA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-03
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	24.470, 29.673, 33.259
Unit cell angles	88.33, 78.61, 76.92

Refinement procedure

Resolution	32.600 - 1.550
Rwork	0.152
R-free	0.17070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.772
Data reduction software	XDS (Jan 19, 2025)
Data scaling software	Aimless (1.14.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.600	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.126	0.521
Rmeas	0.151	0.626
Rpim	0.083	0.343
Number of reflections	12546	607
<I/σ(I)>	3.8	2.1
Completeness [%]	96.8
Redundancy	3.3
CC(1/2)	0.928	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	2.0 M Malonate