12FD

Crystal structure of unliganded Fab 7160

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	62.549, 85.227, 89.550
Unit cell angles	90.00, 101.23, 90.00

Refinement procedure

Resolution	40.650 - 2.390
R-factor	0.2306
Rwork	0.229
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.463
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	2.440
High resolution limit [Å]	2.390	2.390
Number of reflections	36453	1800
<I/σ(I)>	9.5
Completeness [%]	99.0
Redundancy	6.8
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES, 20% (W/V) PEG8000