6OWN

Crystal structure of Msm DnaB1 intein splicing domain bound with zinc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
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	38.479 - 1.950
R-factor	0.2106
Rwork	0.209
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bs8
RMSD bond length	0.005
RMSD bond angle	0.763
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.479	2.013
High resolution limit [Å]	1.950	1.950
Number of reflections	31743	5294
<I/σ(I)>	9.4
Completeness [%]	99.2	97
Redundancy	2.8
CC(1/2)	0.608	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	MPD, sodium acetate, sodium chloride, and zinc chloride.