2H0J

Crystal structure of PucM in the presence of 5,6-diaminouracil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-16
Detector	BRUKER PROTEUM 300
Wavelength(s)	0.97144
Spacegroup name	P 42 2 2
Unit cell lengths	72.956, 72.956, 145.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.211
Rwork	0.211
R-free	0.27100
Structure solution method	FOURIER SYNTHESIS
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.000
High resolution limit [Å]	2.900	6.230	2.900
Rmerge	0.107	0.041	0.546
Number of reflections	9261
<I/σ(I)>	7.8
Completeness [%]	100.0	99.9	100
Redundancy	6.7	5.7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.2	295	0.1M ammonium acetate, 0.5M NaCl, 0.5M ammonium sulfate, pH 4.2, VAPOR DIFFUSION, temperature 295K