7XCN

Crystal structure of the MttB-MttC complex at 2.7 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-19
Detector	RAYONIX MX-300
Wavelength(s)	0.99984
Spacegroup name	P 1 21 1
Unit cell lengths	120.434, 188.138, 123.952
Unit cell angles	90.00, 119.25, 90.00

Refinement procedure

Resolution	20.000 - 2.700
Rwork	0.192
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ezx
RMSD bond length	0.007
RMSD bond angle	1.253
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.750
High resolution limit [Å]	2.700	7.220	2.700
Rmerge	0.078	0.050	0.574
Rmeas	0.092	0.060	0.682
Rpim	0.049	0.033	0.364
Total number of observations	458004
Number of reflections	132103	6613	6619
<I/σ(I)>	9.1
Completeness [%]	99.8	98.3	100
Redundancy	3.5	3.4	3.4
CC(1/2)		0.982	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	0.5 ul MttB (3 mg/ml in 16mM potassium phosphate buffer pH7.4, 400mM NaCl, 160mM Imidazole, 20% glycerol, 1.6mM DTT) 0.5 ul MttC (10 mg/ml in 40 mM Tris buffer pH7, 200mM NaCl, 20% glycerol) 1 ul reservoir solution (18% PEG 8000, 0.1M citric acid pH 5, 1M LiC)