8JZA

Crystal structure of single domain antibody kt75 of human Thyroglobulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2022-03-02
Detector	MAR CCD 165 mm
Wavelength(s)	0.97777
Spacegroup name	P 21 21 21
Unit cell lengths	38.751, 47.589, 64.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.239 - 1.350
Rwork	0.130
R-free	0.17440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.621
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.750	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.055	0.916
Rmeas	0.059	0.981
Rpim	0.021	0.349
Number of reflections	26851	1329
<I/σ(I)>	18	2.4
Completeness [%]	100.0	100
Redundancy	7.9	7.8
CC(1/2)	0.999	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	4M K-acetate, 0.1 M sodium HEPES pH 7.0, 10% glycerol