7CGI

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	2018-06-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 41 21 2
Unit cell lengths	89.261, 89.261, 117.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.559 - 2.796
R-factor	0.2056
Rwork	0.203
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q0q
RMSD bond length	0.002
RMSD bond angle	0.458
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]	31.559	40.000	2.850
High resolution limit [Å]	2.796	7.580	2.800
Rmerge	0.132	0.046	0.623
Rmeas	0.139	0.049	0.658
Rpim	0.040	0.015	0.204
Number of reflections	12260	711	594
<I/σ(I)>	3.9
Completeness [%]	99.9	99.7	100
Redundancy	11.5	9.8	9.8
CC(1/2)		0.999	0.871

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