5VOF

DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-12-13
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	55.744, 164.275, 124.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.050 - 2.250
R-factor	0.22259
Rwork	0.220
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y5g
RMSD bond length	0.008
RMSD bond angle	1.903
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.050	2.254
High resolution limit [Å]	2.250	2.233
Rmerge	0.121	1.619
Number of reflections	27265	2596
<I/σ(I)>	12.25
Completeness [%]	99.3
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Bicine, 0.1 M Tris base, 0.1 M Carboxylic acids, 10% PEG 20,000, 20% PEG 500 MME