3IMO

Structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03319
Spacegroup name	C 1 2 1
Unit cell lengths	119.899, 64.705, 81.853
Unit cell angles	90.00, 131.26, 90.00

Refinement procedure

Resolution	32.568 - 1.800
R-factor	0.1953
Rwork	0.193
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	local model built from low resolution SAD data from p212121 selenomethionine crystals
RMSD bond length	0.007
RMSD bond angle	0.944
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.4_118))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.080	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.066	0.629
Number of reflections	43702
<I/σ(I)>	12.3	1.8
Completeness [%]	99.9	100
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		296	20% PEG 3350, 0.20M Lithium acetate, Cryoprotectant: Perfluoropolyether PFO-X175/08 (Hampton Research), VAPOR DIFFUSION, temperature 296K