7CGJ

Crystal Structure of PUF-8 in Complex with PBE-RNA

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	2017-11-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977
Spacegroup name	P 41 21 2
Unit cell lengths	89.355, 89.355, 117.898
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.846 - 2.546
R-factor	0.1933
Rwork	0.191
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q0q
RMSD bond length	0.009
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	HKL-2000 (V716.1)
Phasing software	PHASER
Refinement software	PHENIX (1.10-2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.590
High resolution limit [Å]	2.546	6.910	2.550
Rmerge	0.162	0.042	0.766
Rmeas	0.170	0.044	0.804
Rpim	0.051	0.014	0.243
Number of reflections	16283	931	784
<I/σ(I)>	4.2
Completeness [%]	100.0	99.8	100
Redundancy	10.8	9.6	10.5
CC(1/2)		0.999	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	1M LiCl, 0.1M Citric acid (pH 5.0) and 15% PEG6000