2H0E

Crystal Structure of PucM in the absence of substrate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-12
Detector	BRUKER PROTEUM 300
Wavelength(s)	0.97948, 0.97964, 0.97180
Spacegroup name	P 42 2 2
Unit cell lengths	73.170, 73.170, 145.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.224
Rwork	0.224
R-free	0.25600
Structure solution method	MAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.09)
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.084	0.053	0.506
Number of reflections	20441
<I/σ(I)>	12.8
Completeness [%]	98.2	99.7	86.5
Redundancy	12.8	12.7	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.2	295	pH 4.2, VAPOR DIFFUSION, temperature 295K
1	VAPOR DIFFUSION	4.2	295	pH 4.2, VAPOR DIFFUSION, temperature 295K
1	VAPOR DIFFUSION	4.2	295	pH 4.2, VAPOR DIFFUSION, temperature 295K