6KCR

X-ray structure of the MtlR-HPr complex from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-02-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98000
Spacegroup name	I 2 2 2
Unit cell lengths	97.360, 122.317, 147.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.400 - 3.500
R-factor	0.2429
Rwork	0.241
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3brj
RMSD bond length	0.002
RMSD bond angle	0.531
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.560
High resolution limit [Å]	3.500	3.500
Rmeas	0.079	0.796
Number of reflections	11374	567
<I/σ(I)>	22.3	1.7
Completeness [%]	99.8	100
Redundancy	6.4	6.3
CC(1/2)		0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	100 mM Tris-HCl (pH 8.5), 200 mM Mg-acetate, 15% polyethylene glycol (PEG) 8000