7CGF

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	2017-12-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977
Spacegroup name	P 41 21 2
Unit cell lengths	89.564, 89.564, 117.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.810 - 1.700
R-factor	0.1996
Rwork	0.198
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q0q
RMSD bond length	0.007
RMSD bond angle	0.895
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	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.088	0.068	0.562
Rmeas	0.093	0.071	0.591
Rpim	0.029	0.023	0.182
Total number of observations	535738
Number of reflections	53127	2927	2622
<I/σ(I)>	4.8
Completeness [%]	100.0	100	100
Redundancy	10.1	9.4	10.2
CC(1/2)		0.997	0.922

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