5ERI

MarR Protein from Peptoclostridium difficile DA00132

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	77
Detector technology	CCD
Collection date	2015-10-08
Detector	RIGAKU
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	66.569, 66.569, 83.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.730 - 2.300
R-factor	0.21332
Rwork	0.212
R-free	0.25012
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lj9
RMSD bond length	0.019
RMSD bond angle	1.789
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.297	2.300
Rmerge		0.584
Number of reflections	8352
<I/σ(I)>	77	16.87
Completeness [%]	93.8	98.8
Redundancy	20	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	8~10% 2-Propanol, 0.1 M Tris-Cl