8EPK

Complex of anticoagulant RNA aptamer and human coagulation factor IXa (S195A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	72.496, 79.579, 84.317
Unit cell angles	90.00, 101.78, 90.00

Refinement procedure

Resolution	60.240 - 2.650
R-factor	0.2328
Rwork	0.231
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8eph 3dd2
RMSD bond length	0.006
RMSD bond angle	1.759
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.240	60.240	2.770
High resolution limit [Å]	2.650	8.780	2.650
Rmerge	0.108	0.032	2.290
Rmeas	0.128	0.038	2.687
Rpim	0.068	0.020	1.395
Number of reflections	27106	782	3506
<I/σ(I)>	8.2
Completeness [%]	98.5	97.4	96.4
Redundancy	3.5	3.4	3.6
CC(1/2)	0.997	0.998	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
6_b4_cr4_1_1	VAPOR DIFFUSION, SITTING DROP		298	60 mM Na Citrate pH 5.0; 4% Tacsimate pH 7.0; 23% PEG 8000