1DBT

CRYSTAL STRUCTURE OF OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE FROM BACILLUS SUBTILIS COMPLEXED WITH UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-08-18
Detector	CUSTOM-MADE
Spacegroup name	P 21 21 2
Unit cell lengths	78.410, 89.760, 105.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.193
Rwork	0.193
R-free	0.22800
RMSD bond length	0.013
RMSD bond angle	23.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.088 *	0.234 *
Total number of observations	177412 *
Number of reflections	29779
<I/σ(I)>	19.4	6.7
Completeness [%]	99.4	98.5
Redundancy	5.9	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.1	295	18% (W/V) PEG 4000, 100MM HEPES PH 7.1, 5% 2-PROPANOL, VAPOR DIFFUSION, HANGING DROP, temperature 295K