9WU2

Crystal structure of cZ22-Fab in complex with left-handed dC(GC)3 DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	112
Detector technology	CCD
Collection date	2024-12-10
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 31
Unit cell lengths	195.566, 195.566, 89.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.920 - 2.350
R-factor	0.171
Rwork	0.169
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.218
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	156195	13733
<I/σ(I)>	22.7
Completeness [%]	99.9
Redundancy	5.3
CC(1/2)	0.990	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12% (w/v) PEG 3,350, 0.1 M Sodium malonate, pH 5.0, 0.01% 1,2-Diaminocyclohexane sulfate, 0.01% 1,4-Cyclohexanedicarboxylic acid, 0.01% Methylenediphosphonic acid, 0.01% Sulfanilic acid, and 0.001 M HEPES sodium