5MKC

Crystal structure of the RrgA Jo.In complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 21 21 21
Unit cell lengths	132.541, 134.571, 144.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.900 - 2.040
R-factor	0.21401
Rwork	0.213
R-free	0.24309
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ww8
RMSD bond length	0.009
RMSD bond angle	1.266
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.910	2.170
High resolution limit [Å]	2.040	2.040
Rmerge	0.046	0.549
Number of reflections	153725
<I/σ(I)>	30.6	3.02
Completeness [%]	93.6	83.8
Redundancy	4.6	4.6
CC(1/2)	1.000	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1 uL of protein (23 mg/ml in 50 mM Tris pH 8.0, 150 mM NaCl) and 1 uL of reservoir (2 M ammonium sulfate, 4% isopropanol