8UHP

anti-Phosphohistidine Fab hSC44.ck.20.N32F with 3pTZA peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	71.546, 73.953, 239.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.250 - 1.980
R-factor	0.2175
Rwork	0.216
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.855
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.298	2.010
High resolution limit [Å]	1.977	1.980
Rmerge	0.125	1.350
Rmeas	0.137	1.500
Rpim	0.056	0.636
Number of reflections	89758	4417
<I/σ(I)>	12.9	1.25
Completeness [%]	100.0	100
Redundancy	6	5.6
CC(1/2)	0.991	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.08M sodium cacodylate, pH 6.5, 0.16M calcium acetate, 20% glycerol, 14.4% PEG8000