6Q57

X-ray crystal structure of the tetrahydrofolate riboswitch aptamer bound to 5-deazatetrahydropterin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	173
Detector technology	PIXEL
Collection date	2015-12-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	26.863, 68.697, 157.309
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.741 - 2.720
R-factor	0.2123
Rwork	0.210
R-free	0.24810
RMSD bond length	0.006
RMSD bond angle	0.993
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.741	2.820
High resolution limit [Å]	2.720	2.720
Number of reflections	8282
<I/σ(I)>	6.7
Completeness [%]	98.0
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		303	6% 2,4-methyl-pentanediol, 10 mM spermine, 40 mM Na-cacodylate, pH 7.0, 80 mM NaCl and 1 mM DTT