3SDS

Crystal structure of a mitochondrial ornithine carbamoyltransferase from Coccidioides immitis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	150.360, 150.360, 92.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.1951
Rwork	0.193
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.309
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge	0.080	0.014	0.608
Number of reflections	29749	278	2139
<I/σ(I)>	18.54	78.77	2.66
Completeness [%]	99.6	72.2	99.9
Redundancy	4.9		5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	CoimA.01230.a.MB1 PW30353 at 24.3 mg/mL against JCSG+ screen condition B2, 0.2 M PEG 3350, 0.2 M NaSCN with 20% ethylene glycol as cryo-protection reagent, crystal tracking ID 218420b2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K