4KGN

Crystal structure of a tRNA (cytidine(34)-2'-O)-methyltransferase bound to S-adenosyl homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-10
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	52.600, 149.710, 80.300
Unit cell angles	90.00, 90.49, 90.00

Refinement procedure

Resolution	44.170 - 2.150
R-factor	0.17043
Rwork	0.169
R-free	0.19333
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.420
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.073	0.027	0.461
Number of reflections	66051
<I/σ(I)>	13.84	37.15	2.92
Completeness [%]	98.1	97.6	97.4
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	BupsA.00072.a.A1 PW25076 at 25 mg/mL with 3 mM SAH against Morpheus screen condition G12, 12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD, 0.02 M each carboxylate: sodium formate, ammonium acetate, trisodium citrate, sodium potassium L-tartrate, sodium oxamate, 0.1 M bicine/Trizma pH 8.5, crystal tracking ID 236960g12, unique puck ID qoj5-3, VAPOR DIFFUSION, SITTING DROP, temperature 289K