1N8U

Chemosensory Protein in Complex with bromo-dodecanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	C 1 2 1
Unit cell lengths	61.529, 54.579, 33.226
Unit cell angles	90.00, 116.59, 90.00

Refinement procedure

Resolution	28.000 * - 1.800
R-factor	0.19033
Rwork	0.184
R-free	0.24000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CSP complexed with bromo-dodecanol form P 2<1>
RMSD bond length	0.014
RMSD bond angle	1.480 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000 *	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.031	0.087
Number of reflections	7693
<I/σ(I)>	11.8	6.9
Completeness [%]	81.3	71
Redundancy	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	293	34% PEG 2000, 0.1M Na-cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	mPEG2000	34 (%)
2	1	1	sodium cacodylate	0.1 (M)	pH6.5