6BLK

Mycobacterial sensor histidine kinase MprB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-02
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	40.410, 61.630, 67.220
Unit cell angles	102.78, 104.47, 109.08

Refinement procedure

Resolution	61.420 - 1.552
R-factor	0.1857
Rwork	0.184
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d36
RMSD bond length	0.011
RMSD bond angle	1.200
Data reduction software	XDS (VERSION Jun 1, 2017 BUILT=20170923)
Data scaling software	XSCALE (VERSION Jun 1, 2017 BUILT=20170923)
Phasing software	BALBES (1.0.0.Nov_16_2011)
Refinement software	PHENIX (1.12rc1_2815)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.420	61.420	1.590
High resolution limit [Å]	1.550	6.940	1.550
Rmerge	0.066	0.058	0.305
Rmeas	0.081	0.072	0.431
Number of reflections	74925	867	2934
<I/σ(I)>	9.22	17.72	2.11
Completeness [%]	92.4	95.7	49.3
Redundancy	2.725	2.879	1.446
CC(1/2)	0.994	0.981	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	0.1 M IMIDAZOLE PH 8.0, 20% PEG8000