3JZE

1.8 Angstrom resolution crystal structure of dihydroorotase (pyrC) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2

Replaces:  3IHN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	50.437, 79.486, 180.610
Unit cell angles	90.00, 90.35, 90.00

Refinement procedure

Resolution	29.830 - 1.800
R-factor	0.16547
Rwork	0.163
R-free	0.20301
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eg6
RMSD bond length	0.011
RMSD bond angle	1.516
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.083	0.397
Number of reflections	130226
<I/σ(I)>	13	2.6
Completeness [%]	98.6	97.4
Redundancy	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	Protein solution: 6.8 mg/mL, 0.25 Sodium chloride, Tris-HCl pH 8.3. Screen solution: PEGs II, condition B10, 0.1M Sodium acetate, 0.1M MES pH 6.5, 30% w/v PEG 2000 MME., VAPOR DIFFUSION, SITTING DROP, temperature 295K