37CN

env2 cobalamin riboswitch aptamer domain in complex with ethynyl-N-cyclopentylpropiolamide-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	2026-03-13
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	42.686, 76.533, 73.550
Unit cell angles	90.00, 90.91, 90.00

Refinement procedure

Resolution	19.720 - 2.990
R-factor	0.2104
Rwork	0.201
R-free	0.29720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.810
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		0.060	0.224
Rmeas	0.125	0.075	0.292
Rpim	0.074	0.045	0.185
Number of reflections	15720	1614	1290
<I/σ(I)>	12.5
Completeness [%]	94.9	95.3	79.4
Redundancy	2.4	2.4	1.7
CC(1/2)		0.989	0.940

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