1R3F

Crystal Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA-protein Recognition Through a Combination of Rigid Docking and Induced Fit

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	298
Detector technology	CCD
Collection date	2001-06-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97926, 0.97942, 0.9610
Spacegroup name	P 1 21 1
Unit cell lengths	48.030, 71.010, 48.670
Unit cell angles	90.00, 117.87, 90.00

Refinement procedure

Resolution	40.000 * - 1.850
R-factor	0.228
Rwork	0.228
R-free	0.25700
Structure solution method	MAD
RMSD bond length	0.006 *
RMSD bond angle	0.006
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.960
High resolution limit [Å]	1.850	1.850
Rmerge	0.069	0.470
Total number of observations	426647 *
Number of reflections	24806
<I/σ(I)>	23.7	4.9
Completeness [%]	100.0	100
Redundancy	9.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *		PEG 4K, magnesium sulfate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	drop	Tris	10 (mM)	pH7.5
3	1	drop	EDTA	2 (mM)
4	1	drop	dithiothreitol	2 (mM)
5	1	reservoir	PEG4000	8-10 (%(w/v))
6	1	reservoir	magnesium sulfate	0.2 (mM)
7	1	reservoir	sodium cacodylate	100 (mM)	pH6.5