8ZNU

Catalytic antibody T99_C220A_dP95

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	95
Detector technology	PIXEL
Collection date	2020-02-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 63 2 2
Unit cell lengths	80.760, 80.760, 158.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.170 - 2.000
R-factor	0.2224
Rwork	0.220
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SwissModel
RMSD bond length	0.002
RMSD bond angle	0.519
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.180	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.230	0.702
Number of reflections	33164	2872
<I/σ(I)>	5.86
Completeness [%]	84.8
Redundancy	6.59
CC(1/2)	0.986	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1 M Sodium cacodylate pH 6.5 36% PEG2000MME