6B8W

1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	66.269, 66.269, 116.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.870 - 1.900
R-factor	0.18483
Rwork	0.183
R-free	0.22046
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y9q
RMSD bond length	0.009
RMSD bond angle	1.474
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.074	0.779
Rmeas	0.081	0.870
Rpim	0.032	0.381
Number of reflections	21115	1019
<I/σ(I)>	22.1	2.2
Completeness [%]	99.5	100
Redundancy	6.3	5.1
CC(1/2)		0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	Protein: 12.0 mg/ml, 0.3M Sodium chloride, 0.01M HEPES pH 7.5; Screen: 0.2M Sodium thiocyan, 20% (w/v) PEG 3350.