5EW1

Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-24
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	I 2 3
Unit cell lengths	145.548, 145.548, 145.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.950
R-factor	0.1584
Rwork	0.155
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i7y
RMSD bond length	0.018
RMSD bond angle	2.006
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.060
High resolution limit [Å]	2.950	6.350	2.950
Rmerge	0.184	0.072	0.749
Rmeas	0.189	0.074	0.769
Rpim	0.040	0.016	0.170
Total number of observations	236610
Number of reflections	10960
<I/σ(I)>	4.6
Completeness [%]	100.0	99.9	100
Redundancy	21.6	20.4	20.2
CC(1/2)		0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	28% MPEG 2000, 0.1 M Bis/Tris pH 6.5