1SGV

STRUCTURE OF TRNA PSI55 PSEUDOURIDINE SYNTHASE (TRUB)

Replaces:  1S71

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0322
Spacegroup name	P 1 21 1
Unit cell lengths	45.948, 94.100, 78.508
Unit cell angles	90.00, 100.36, 90.00

Refinement procedure

Resolution	40.200 * - 1.900
R-factor	0.20268
Rwork	0.201
R-free	0.24000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1K8W protein component
RMSD bond length	0.007
RMSD bond angle	0.970 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.046	0.340
Total number of observations	184403 *
Number of reflections	51411
<I/σ(I)>	12.4	2
Completeness [%]	99.5 *	99.5 *
Redundancy	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	298	AMMONIUM SULFATE, TRIS BUFFER, PEG3350, pH 7.5, temperature 298K, microseeding

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH8.
2	1	drop		0.3 (M)
3	1	drop	protein	20 (mg/ml)
4	1	reservoir	ammonium sulfate	0.2 (M)
5	1	reservoir	Tris	0.1 (M)	pH8.5
6	1	reservoir	PEG3350	25 (%(w/v))