7MJZ

The structure of MiaB with pentasulfide bridge

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.078
Spacegroup name	P 21 21 21
Unit cell lengths	54.215, 81.125, 118.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 2.080
R-factor	0.1846
Rwork	0.182
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qgq
RMSD bond length	0.002
RMSD bond angle	0.567
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.060
High resolution limit [Å]	2.020	5.290	2.020
Rmerge	0.140	0.041	0.858
Rmeas	0.151	0.045	0.929
Rpim	0.056	0.017	0.354
Number of reflections	38918	2131	1880
<I/σ(I)>	6
Completeness [%]	99.9	99.9	99.9
Redundancy	7	6.8	6.7
CC(1/2)		0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M potassium formate, pH 7.3, 20% polyethylene glycol 3350