37CQ

env2 cobalamin riboswitch aptamer domain in complex with ethynyl-N-CH2-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	2026-03-05
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	41.162, 78.086, 79.156
Unit cell angles	90.00, 90.84, 90.00

Refinement procedure

Resolution	19.990 - 2.620
R-factor	0.211
Rwork	0.203
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.741
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	2.690
High resolution limit [Å]	2.600	5.570	2.600
Rmerge		0.060	0.223
Rmeas	0.115	0.073	0.272
Rpim	0.064	0.042	0.154
Number of reflections	13881	1527	1060
<I/σ(I)>	12
Completeness [%]	92.8	99.5	70.1
Redundancy	2.9	2.8	2.6
CC(1/2)		0.992	0.955

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.