8UIT

anti-Phosphohistidine Fab hSC44.ck with 3pHis peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 2
Unit cell lengths	93.247, 139.056, 73.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.720 - 2.200
R-factor	0.2323
Rwork	0.230
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.604
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.720	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.221	4.800
Rmeas	0.230	5.100
Rpim	0.064	1.660
Number of reflections	49506	2432
<I/σ(I)>	17.5	1.3
Completeness [%]	99.9	99.9
Redundancy	12.9	9.4
CC(1/2)	0.991	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Calcium chloride, 20% PEG 3350