9VMZ

Crystal structure of Broccoli aptamer in with BI

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 2 21
Unit cell lengths	34.598, 51.018, 92.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.630 - 2.440
R-factor	0.241
Rwork	0.239
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.103
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.390	2.480
High resolution limit [Å]	2.440	2.440
Rmerge	0.113	0.910
Rpim	0.034	0.277
Number of reflections	6439	623
<I/σ(I)>	10.4	2.3
Completeness [%]	99.8
Redundancy	12
CC(1/2)	0.999	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.04 M Lithium chloride, 0.08 M Strontium chloride hexahydrate, 0.02 M Magnesium chloride hexahydrate, 0.04 M Sodium cacodylate trihydrate pH 7.0, 30% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.012 M Spermine tetrahydrochloride