9NOB

Crystal Structutre of unliganded Fab 224

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	56.857, 72.826, 127.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.480 - 1.690
R-factor	0.2
Rwork	0.199
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.111
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]	27.000	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.147	0.879
Rpim	0.045	0.315
Number of reflections	60033	2821
<I/σ(I)>	25.2
Completeness [%]	97.9
Redundancy	10.9
CC(1/2)	0.994	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.17 M Ammonium Sulfate, 15% (v/v) Glycerol, 25.5 % (w/v) PEG4000