6FRE

Crystal structure of G-1F/H73A mutant of Ssp DnaB Mini-Intein variant M86

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-23
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	52.583, 52.583, 118.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.050 - 1.220
R-factor	0.1757
Rwork	0.175
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mi8
RMSD bond length	0.006
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	PHENIX (dev_2733)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.050	48.050	1.240
High resolution limit [Å]	1.220	6.680	1.220
Rmerge	0.095	0.048	3.182
Rmeas	0.096	0.049	3.212
Rpim	0.013	0.008	0.435
Number of reflections	49184	398	2332
<I/σ(I)>	28.6
Completeness [%]	98.1	99.9	95.8
Redundancy	51.9	43	51.3
CC(1/2)	1.000	0.999	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES pH 7.5, 10 % PEG8000, 0.1 % protamine sulfate, 2 mM HEPES pH 6.8