9I9W

Crystal structure containing UGGAA/UGGAA motif interacting with NCD molecule

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97626
Spacegroup name	P 41 21 2
Unit cell lengths	71.628, 71.628, 62.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.299 - 1.501
Rwork	0.128
R-free	0.16610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.616
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	1.590
High resolution limit [Å]	1.500	1.500
Number of reflections	26778	4261
<I/σ(I)>	24.64
Completeness [%]	100.0
Redundancy	25.7
CC(1/2)	1.000	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.01 M Magnesium acetate tetrahydrate, 0.05 M Sodium cacodylate trihydrate pH 6.5, 1.3 M Lithium sulfate monohydrate