8PUK

ChiLob 7/4 H2 HC-T219C/C224S Kappa LC-E123C/C214S F(ab')2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 3 2 1
Unit cell lengths	148.167, 148.167, 45.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.193 - 2.671
Rwork	0.242
R-free	0.28250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.167
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.193	2.800
High resolution limit [Å]	2.670	2.670
Rmerge	0.129	1.725
Rmeas	0.149	1.995
Rpim	0.075	0.986
Number of reflections	16178	2088
<I/σ(I)>	10.1	0.9
Completeness [%]	98.8	97.1
Redundancy	7.1
CC(1/2)	0.995	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294.15	0.1M TRIS, 15% PEG 4000, 0.2M (NH4)2SO4
2	VAPOR DIFFUSION, SITTING DROP	8	294.15	0.1M TRIS, 25% PEG 4000, 15% glycerol