4N9X

Crystal Structure of the OCTAPRENYL-METHYL-METHOXY-BENZQ MOLECULE from Erwina carotovora subsp. atroseptica strain SCRI 1043 / ATCC BAA-672, Northeast Structural Genomics Consortium (NESG) Target EwR161

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	120.098, 120.098, 149.924
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.811 - 2.503
R-factor	0.227
Rwork	0.225
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k22
RMSD bond length	0.011
RMSD bond angle	1.450
Refinement software	PHENIX (dev_1269)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.500
Rmerge	0.063
Number of reflections	26980
<I/σ(I)>	26.6
Completeness [%]	97.8
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution: 0.1M Ammonium phosphate-dibasic, 0.1M TAPS, 20% (w/v) PEG4000 , VAPOR DIFFUSION, HANGING DROP, temperature 293K