37CM

env2 cobalamin riboswitch aptamer domain in complex with ethynyl-N-cyclopropylpropiolamide-cobalamin

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-03-11
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	40.622, 78.602, 79.684
Unit cell angles	90.00, 90.98, 90.00

Refinement procedure

Resolution	19.920 - 2.510
R-factor	0.1889
Rwork	0.182
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.843
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

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		0.030	0.129
Rmeas	0.055	0.037	0.158
Rpim	0.031	0.021	0.091
Number of reflections	16067	1723	1194
<I/σ(I)>	12.9
Completeness [%]	93.7	97.4	70.4
Redundancy	2.8	2.6	2.6
CC(1/2)		0.998	0.979

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.