4U5P

Crystal structure of native RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.78 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9395
Spacegroup name	C 2 2 21
Unit cell lengths	54.690, 98.550, 188.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.352 - 1.782
R-factor	0.1516
Rwork	0.150
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c6v
RMSD bond length	0.008
RMSD bond angle	1.086
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	94.265	46.352	1.880
High resolution limit [Å]	1.780	5.640	1.780
Rmerge		0.046	0.257
Rmeas	0.099
Rpim	0.052	0.029	0.165
Total number of observations	129204	4460	18365
Number of reflections	42398
<I/σ(I)>	7.9	14.1	2.9
Completeness [%]	86.8	86.8	88.7
Redundancy	3	3.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	24-28% PEG 3350, 100mM Bis-tris propane