7T98

Crystal structure of engineered CYS-CYS fab dimer VL-108 (LC33)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99987
Spacegroup name	P 31 2 1
Unit cell lengths	99.634, 99.634, 212.675
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.890 - 2.970
R-factor	0.1962
Rwork	0.192
R-free	0.27390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.959
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.890	70.890	3.900
High resolution limit [Å]	2.970	11.700	3.700
Rmerge	0.248	0.049	0.787
Rmeas	0.262	0.052	0.829
Rpim	0.083	0.017	0.257
Total number of observations		4389	20096
Number of reflections	17133	506	1947
<I/σ(I)>	9.8	29.5	3.5
Completeness [%]	99.9	99.4	100
Redundancy	9.8	8.7	10.3
CC(1/2)	0.994	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1% PEG 2000, 100 mM HEPES pH 8.0