1LP6

Crystal structure of orotidine monophosphate decarboxylase complexed with CMP

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]	100
Detector technology	CCD
Collection date	2001-06-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	57.130, 55.663, 65.838
Unit cell angles	90.00, 94.77, 90.00

Refinement procedure

Resolution	30.000 * - 1.900
R-factor	0.192
Rwork	0.192
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	22.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.040 *	0.100 *
Total number of observations	765425 *
Number of reflections	32661
Completeness [%]	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	trisodium citrate, 1,2,3-heptanetriol, 12-crown-4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 25K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	1,2,3-heptanetriol	1.5-2 (%(w/v))
2	1	reservoir	12-crown-4	5 (%(v/v))
3	1	reservoir	(+-)-1,3-butanediol	10 (%)