2OGJ

Crystal structure of a dihydroorotase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-20
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	90.650, 139.200, 206.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.760 - 2.620
R-factor	0.256
Rwork	0.256
R-free	0.30200
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.620	2.620
Rmerge	0.121	0.476
Number of reflections	148434
<I/σ(I)>	3.9	1.6
Completeness [%]	99.0	99.1
Redundancy	5.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.1M HEPES pH 7.5, 25% PEG3350, 0.2M Ammonium sulfate, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	7.5	298	0.1M HEPES pH 7.5, 25% PEG3350, 0.2M Ammonium sulfate, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	7.5	298	0.1M HEPES pH 7.5, 25% PEG3350, 0.2M Ammonium sulfate, VAPOR DIFFUSION, temperature 298K