6IE9

RamR in complex with chenodeoxycholic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.900
Spacegroup name	C 1 2 1
Unit cell lengths	87.436, 53.576, 43.837
Unit cell angles	90.00, 93.29, 90.00

Refinement procedure

Resolution	32.080 - 1.780
R-factor	0.199
Rwork	0.196
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vvx
RMSD bond length	0.020
RMSD bond angle	2.009
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (10.2.35)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.040	0.024	0.392
Total number of observations	145509
Number of reflections	18975		929
<I/σ(I)>	15.9
Completeness [%]	97.9	88.5	97.4
Redundancy	7.7	6.7	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M MES pH6.5, 0.2M Ammonium Sulfate, 20% PEG6000