37CP

env2 cobalamin riboswitch aptamer domain in complex with ethynyl-N-CH2-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	2026-03-07
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	40.689, 78.167, 79.508
Unit cell angles	90.00, 91.14, 90.00

Refinement procedure

Resolution	19.870 - 2.780
R-factor	0.1953
Rwork	0.188
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.822
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	2.900
High resolution limit [Å]	2.780	5.980	2.800
Rmerge		0.059	0.204
Rmeas	0.134	0.076	0.269
Rpim	0.083	0.048	0.173
Number of reflections	11326	1201	916
<I/σ(I)>	8.1
Completeness [%]	90.1	93.1	72.7
Redundancy	1.9	2	1.5
CC(1/2)		0.991	0.930

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.