1SB7

Crystal structure of the E.coli pseudouridine synthase TruD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-12-18
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	63.665, 108.780, 111.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.690 - 2.200
R-factor	0.216
Rwork	0.216
R-free	0.25400
Structure solution method	SIR
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.690	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.070	0.414
Number of reflections	39254
<I/σ(I)>	43.1	7.2
Completeness [%]	97.8	99.6
Redundancy	10.76	10.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	magnesium chloride, Hepes 7.5, isopropanol, PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50