9E5H

env2 cobalamin riboswitch aptamer domain in complex with cyanocobalamin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.09720
Spacegroup name	P 1 21 1
Unit cell lengths	36.860, 114.486, 63.640
Unit cell angles	90.00, 99.28, 90.00

Refinement procedure

Resolution	19.660 - 2.800
R-factor	0.2138
Rwork	0.208
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.490
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.098	0.321
Rmeas	0.119	0.389
Rpim	0.067	0.217
Total number of observations	3480275	30904
Number of reflections	25277	2131
<I/σ(I)>	18.7	0.3
Completeness [%]	95.3	80.3
Redundancy	3.1	2.8
CC(1/2)	0.973	0.880

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.