6FRG

Crystal structure of G-1F 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	2015-11-03
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 42 2 2
Unit cell lengths	71.472, 71.472, 87.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.935 - 1.535
R-factor	0.1442
Rwork	0.143
R-free	0.17010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mi8
RMSD bond length	0.018
RMSD bond angle	1.669
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.940	43.940	1.560
High resolution limit [Å]	1.535	8.410	1.535
Rmerge	0.066	0.024	1.648
Rmeas	0.068	0.025	1.701
Rpim	0.017	0.007	0.418
Number of reflections	34745	274	1683
<I/σ(I)>	24.5
Completeness [%]	100.0	99.4	100
Redundancy	15.8	12.8	16.3
CC(1/2)	1.000	1.000	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	293	0.1 M sodium citrate pH 5.3, 48 % PEG200