4JDY

Crystal structure of Rv2606c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1.23985
Spacegroup name	I 2 2 2
Unit cell lengths	110.752, 126.080, 180.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.1843
Rwork	0.183
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iss
RMSD bond length	0.030
RMSD bond angle	2.202
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.072	0.044	0.328
Number of reflections	115287
<I/σ(I)>	9.1
Completeness [%]	99.0	99.6	97
Redundancy	5.3	6.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	295	PEG 8000, CAPS, NaCl, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K