6IE8

RamR in complex with cholic 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	87.207, 53.613, 43.941
Unit cell angles	90.00, 93.22, 90.00

Refinement procedure

Resolution	43.870 - 2.000
R-factor	0.19
Rwork	0.188
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vvx
RMSD bond length	0.020
RMSD bond angle	1.998
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.068	0.033	0.521
Total number of observations	104226
Number of reflections	13733		682
<I/σ(I)>	11
Completeness [%]	99.1	94.2	99.1
Redundancy	7.6	6.8	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