7D28

Crystal structure of MazF (Form-I) 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	2017-07-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	48.542, 74.976, 120.103
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.820 - 1.500
R-factor	0.1723
Rwork	0.171
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ck9
RMSD bond length	0.014
RMSD bond angle	1.874
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.078	0.041	0.908
Rmeas	0.081	0.043	0.941
Rpim	0.021	0.012	0.246
Total number of observations	1021009
Number of reflections	71103	3806	3520
<I/σ(I)>	7.2
Completeness [%]	100.0	99.2	100
Redundancy	14.4	12.6	14.4
CC(1/2)		0.999	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 5000 MME, 100 mM MES pH 6.5 and 200 mM Ammonium sulfate