9GXH

Nanobody bound to TBA G-quadruplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	P 1 21 1
Unit cell lengths	36.284, 59.331, 70.625
Unit cell angles	90.00, 95.79, 90.00

Refinement procedure

Resolution	45.332 - 1.900
R-factor	0.1581
Rwork	0.154
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.973
Data reduction software	XDS
Data scaling software	STARANISO (anisotropy correction)
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.260	1.460
High resolution limit [Å]	1.390	1.390
Rmerge	0.138	3.649
Rmeas	0.152	4.567
Rpim	0.061	2.682
Total number of observations	253447
Number of reflections	43889	1022
<I/σ(I)>	6.8
Completeness [%]	72.7
Redundancy	5.8	2.4
CC(1/2)	0.990	0.109

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	298	0.2 M Sodium chloride, 0.1 M Phosphate/citrate, pH = 4.2, 20 % w/v PEG 8000 cryosoak: same solution with 30% glycerol