1Q2S

Chemical trapping and crystal structure of a catalytic tRNA guanine transglycosylase covalent intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Spacegroup name	I 4
Unit cell lengths	261.961, 261.961, 55.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.200
Rwork	0.180
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pud
RMSD bond length	0.007 *
RMSD bond angle	1.310 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.200	3.200 *
Rmerge	0.092	0.362 *
Number of reflections	31940 *	3148 *
Completeness [%]	99.7 *	99.3 *
Redundancy	6.2 *	4.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	4 *	PEG 6000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 6000
2	1	1	H2O
3	1	2	PEG 6000
4	1	2	H2O

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	100 (mM)	pH7.5
2	1	reservoir	PEG6000	28 (%(w/v))
3	1	reservoir		100 (mM)
4	1	reservoir	spermine	10 (mM)