6BS8

The class 3 DnaB intein from Mycobacterium smegmatis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.18076
Spacegroup name	P 1 21 1
Unit cell lengths	64.050, 56.914, 64.727
Unit cell angles	90.00, 106.60, 90.00

Refinement procedure

Resolution	38.480 - 1.950
R-factor	0.2041
Rwork	0.203
R-free	0.23540
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.991
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.095	0.034	0.782
Rmeas	0.116	0.041	0.993
Rpim	0.066	0.023	0.603
Number of reflections	31802	1530	1568
<I/σ(I)>	9.4		2.1
Completeness [%]	97.0	89.3	97.6
Redundancy	2.7	2.9	2.3
CC(1/2)		0.997	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.6	298	20% (v/v) 2-Methyl-2,4-pentanediol (MPD), 0.1 M sodium acetate, pH 4.6, 0.2 M sodium chloride