8K85

Crystal structure of Red Broccoli aptamer with OBI

This is a non-PDB format compatible entry.

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	2022-08-29
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	50.395, 59.504, 265.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.460 - 2.950
R-factor	0.199
Rwork	0.197
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.540
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.460	3.056
High resolution limit [Å]	2.950	2.950
Rmerge	0.133	1.377
Rpim	0.039	0.395
Number of reflections	8840	847
<I/σ(I)>	11.7	2
Completeness [%]	98.5	99.41
Redundancy	12.5
CC(1/2)	0.998	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.08 M Sodium chloride,0.04 M Sodium cacodylate trihydrate pH 7.0,30% v/v (+/-)-2-Methyl-2,4-pentanediol,0.012 M Spermine tetrahydrochloride, 0.01M Spermidine