3SEC

Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with pyrazofurin monophosphate

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	2006-08-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90020
Spacegroup name	C 2 2 21
Unit cell lengths	58.244, 103.574, 73.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.15661
Rwork	0.156
R-free	0.18683
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dv7
RMSD bond length	0.011
RMSD bond angle	1.564
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.084	0.489
Number of reflections	24704
<I/σ(I)>	11.7	4.43
Completeness [%]	99.9	99.7
Redundancy	9.6	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	Trisodium Citrate, Dioxane, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K