5EW2

Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-13
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	117.089, 41.296, 104.923
Unit cell angles	90.00, 102.90, 90.00

Refinement procedure

Resolution	50.000 - 3.590
R-factor	0.2115
Rwork	0.208
R-free	0.26772
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.855
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.710
High resolution limit [Å]	3.580	7.700	3.580
Rmerge	0.120	0.026	0.466
Rmeas	0.147	0.031	0.573
Rpim	0.084	0.018	0.329
Total number of observations	16010
Number of reflections	5755
<I/σ(I)>	5.9
Completeness [%]	96.4	98.1	95.7
Redundancy	2.8	2.8	2.6
CC(1/2)		0.971	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	18% PEG 3350, 0.2 M Sodium Formate, 2% acetonitrile