9MFH

env2 cobalamin riboswitch aptamer domain in the apo state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-06
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	109.326, 39.320, 64.189
Unit cell angles	90.00, 121.18, 90.00

Refinement procedure

Resolution	19.650 - 2.700
R-factor	0.2474
Rwork	0.242
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.637
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.590
High resolution limit [Å]	2.500	5.350	2.500
Rmerge		0.061	0.255
Rmeas		0.078	0.334
Rpim	0.083	0.048	0.212
Number of reflections	7804	821	581
<I/σ(I)>	12
Completeness [%]	94.2	94.7	70.9
Redundancy	2.4	2.4	1.8
CC(1/2)	0.925	0.996	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	303.15	10% (v/v) (+/-)-2-Methyl-2,4-pentanediol, 40 mM Sodium cacodylate trihydrate (pH 7.0), 12 mM Spermine tetrahydrochloride, 80 mM Potassium chloride, 20 mM Magnesium chloride hexahydrate. Hanging drop. 303.15 K