2AB4

Dissecting the Roles of a Strictly Conserved Tyrosine in Substrate Recognition and Catalysis by Pseudouridine 55 Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	200
Detector technology	CCD
Collection date	2003-03-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	157.870, 51.870, 57.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
Rwork	0.222
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ze2
RMSD bond length	0.006
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Rmerge	0.056
Number of reflections	16411
<I/σ(I)>	10.8
Completeness [%]	86.0
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	278	PEG6000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG6000
2	1	1	H2O
3	1	2	PEG6000
4	1	2	H2O