7T97

Crystal structure of engineered CYS-CYS fab dimer CH1-207 (HC4)

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)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	151.377, 141.075, 118.605
Unit cell angles	90.00, 90.32, 90.00

Refinement procedure

Resolution	75.690 - 2.144
R-factor	0.1957
Rwork	0.194
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.040
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7 (20-MAY-2020))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.690	75.690	2.800
High resolution limit [Å]	2.144	8.390	2.650
Rmerge	0.111	0.033	0.607
Rmeas	0.131	0.039	0.714
Rpim	0.070	0.021	0.374
Total number of observations		8067	37405
Number of reflections	90661	2331	10469
<I/σ(I)>	9.2	22	2.4
Completeness [%]	99.8	99.3	99.9
Redundancy	3.5	3.5	3.6
CC(1/2)	0.995	0.999	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.8 M sodium succinate