7CGL

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	89.869, 89.869, 118.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.037 - 2.500
R-factor	0.1983
Rwork	0.195
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q0q
RMSD bond length	0.008
RMSD bond angle	0.986
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	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.129	0.052	0.528
Rmeas	0.135	0.055	0.551
Rpim	0.038	0.016	0.153
Total number of observations	177494
Number of reflections	16585	888	813
<I/σ(I)>	4.3
Completeness [%]	95.5	89.2	97.6
Redundancy	10.7	9.9	10.7
CC(1/2)		0.998	0.929

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