8HZK

A new fluorescent RNA aptamer bound with N, iridium hexammine soak

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	2018-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.102
Spacegroup name	C 1 2 1
Unit cell lengths	74.893, 44.022, 58.304
Unit cell angles	90.00, 112.94, 90.00

Refinement procedure

Resolution	37.110 - 2.000
R-factor	0.2046
Rwork	0.203
R-free	0.23990
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.178
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.125	0.106	0.245
Rmeas	0.149	0.128	0.291
Rpim	0.081	0.070	0.156
Total number of observations	77364
Number of reflections	11887	2259	2312
<I/σ(I)>	8
Completeness [%]	98.9	98.1	99.3
Redundancy	3.4	3.3	3.4
CC(1/2)	0.962	0.972	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.05 M magnesium chloride, 0.1 M HEPES pH 7.5, 30% polyethylene glycol monomethyl ether 550, 0.6% 1,6-diaminohexane