2PN1

Crystal structure of carbamoylphosphate synthase large subunit (split gene in MJ) (ZP_00538348.1) from Exiguobacterium sp. 255-15 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97920
Spacegroup name	C 1 2 1
Unit cell lengths	91.600, 61.210, 76.880
Unit cell angles	90.00, 124.02, 90.00

Refinement procedure

Resolution	27.587 - 2.000
R-factor	0.195
Rwork	0.192
R-free	0.23900
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.622
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.587		2.070
High resolution limit [Å]	2.000	3.420	2.000
Rmerge	0.063	0.038	0.351
Number of reflections	23426
<I/σ(I)>	7.47	15.7	2.6
Completeness [%]	91.2	92.7	83.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	277	NANODROP, 24.0% PEG 8000, 0.25M Sodium chloride, 0.1M Phosphate-citrate pH 4.7, VAPOR DIFFUSION, SITTING DROP, temperature 277K