8ASH

Crystal structure of d(CCGGGGTACCCCGG) with XRB

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	270
Detector technology	PIXEL
Collection date	2022-08-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	2.00
Spacegroup name	P 41 21 2
Unit cell lengths	41.760, 41.760, 88.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 1.837
Rwork	0.141
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wv7
RMSD bond length	0.014
RMSD bond angle	1.741
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.800	1.885
High resolution limit [Å]	1.837	1.837
Rmerge	0.114
Rmeas	0.120
Rpim	0.038
Number of reflections	7419	453
<I/σ(I)>	50.8
Completeness [%]	98.8	90.94
Redundancy	10.4
CC(1/2)	0.996	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	8%MPD, 1mM BaCl2, 5mM Spermine