12FE

Crystal structure of unliganded Fab 399

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-02-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	63.900, 86.934, 89.765
Unit cell angles	90.00, 100.85, 90.00

Refinement procedure

Resolution	39.320 - 2.290
R-factor	0.2436
Rwork	0.242
R-free	0.27950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.535
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.290	2.290
Number of reflections	41653	2109
<I/σ(I)>	39.9
Completeness [%]	97.0
Redundancy	5.9
CC(1/2)	0.990	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M POTASSIUM FORMATE, 10% (V/V) ETHYLENE GLYCOL, 20% (W/V) PEG3350