8UJI

anti-Phosphohistidine Fab hSC44.ck with 3pTza 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	2022-07-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 2
Unit cell lengths	92.498, 139.615, 73.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.340 - 1.950
R-factor	0.2141
Rwork	0.212
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.914
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]	39.340	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.143	1.930
Rmeas	0.149	2.050
Rpim	0.044	0.673
Number of reflections	68051	3151
<I/σ(I)>	17.6	1.2
Completeness [%]	97.5	91.3
Redundancy	10.8	7.8
CC(1/2)	0.992	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Lithium citrate, 20% PEG-3350