4U5R

Crystal structure of D106A mutant of RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.55 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2014-06-17
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	99.795, 57.784, 92.026
Unit cell angles	90.00, 90.41, 90.00

Refinement procedure

Resolution	43.994 - 1.550
R-factor	0.1605
Rwork	0.160
R-free	0.17490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u5p
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	188.450	50.006	1.630
High resolution limit [Å]	1.550	4.900	1.550
Rmerge		0.082	0.255
Rmeas	0.101
Rpim	0.057	0.054	0.189
Total number of observations	197991	6686	23982
Number of reflections	74309
<I/σ(I)>	7.4	11.3	3.5
Completeness [%]	97.5	93	92
Redundancy	2.7	2.9	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Halogens, 100mM Tris Bicine, 30% PEGMME 550 PEG 20000