3MCW

Crystal structure of an a putative hydrolase of the isochorismatase family (CV_1320) from Chromobacterium violaceum ATCC 12472 at 1.06 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97939,0.97910
Spacegroup name	C 1 2 1
Unit cell lengths	92.697, 60.850, 71.960
Unit cell angles	90.00, 102.97, 90.00

Refinement procedure

Resolution	35.062 - 1.060
R-factor	0.132
Rwork	0.131
R-free	0.15100
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.675
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.6.0059)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.062		1.100
High resolution limit [Å]	1.060	2.280	1.060
Rmerge	0.076	0.054	0.592
Rmeas	0.085	0.059	0.729
Total number of observations	806929
Number of reflections	175951	17795	18353
<I/σ(I)>	10.18	26.4	1.9
Completeness [%]	99.8	98.9	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	0.2000M NH4I, 20.0000% PEG-3350, No Buffer pH 6.2, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP