7D2N

Crystal structure of MazE-MazF (Form-III) from Deinococcus radiodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	193
Detector technology	CCD
Collection date	2018-09-15
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97940
Spacegroup name	C 1 2 1
Unit cell lengths	138.606, 56.215, 61.822
Unit cell angles	90.00, 107.31, 90.00

Refinement procedure

Resolution	33.080 - 1.600
R-factor	0.2323
Rwork	0.231
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7d28
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.085	0.053	0.872
Rmeas	0.099	0.062	1.010
Rpim	0.050	0.032	0.509
Total number of observations	446024
Number of reflections	58095	5704	5621
<I/σ(I)>	7.3
Completeness [%]	97.0	97.5	94.8
Redundancy	3.9	3.9	3.9
CC(1/2)		0.996	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Sodium thiocyanate, 20% PEG 3,350, pH 6.9