9UK8

Monomeric antiparallel G-quadruplex formed by d(G4C2)4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-20
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.919764
Spacegroup name	P 21 21 21
Unit cell lengths	31.288, 87.147, 98.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.610 - 2.700
R-factor	0.23518
Rwork	0.233
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2n2d
RMSD bond length	0.005
RMSD bond angle	1.894
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.860
High resolution limit [Å]	2.700	7.980	2.700
Rmerge	0.160	0.035	1.577
Rmeas	0.169	0.038	1.676
Number of reflections	7881	346	1240
<I/σ(I)>	12.12	36	1.74
Completeness [%]	99.8	98.3	99.2
Redundancy	9.8	8.22	8.88
CC(1/2)	1.000	1.000	0.335

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.05 M KCl, 0.05 M BIS-TRIS at pH 7.0, 33% w/v PEG 3350 and 0.005 M spermine