6TPP

Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979490
Spacegroup name	P 1
Unit cell lengths	51.697, 58.735, 79.320
Unit cell angles	87.32, 78.19, 73.49

Refinement procedure

Resolution	77.630 - 2.640
R-factor	0.1924
Rwork	0.190
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6srd
RMSD bond length	0.006
RMSD bond angle	1.450
Data reduction software	XDS
Data scaling software	Aimless (7.0.077)
Phasing software	MOLREP (7.0.077)
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.630	2.770
High resolution limit [Å]	2.640	2.640
Rmerge	0.164	0.682
Rmeas	0.198	0.824
Rpim	0.109	0.595
Number of reflections	24307	3296
<I/σ(I)>	5.4	1.8
Completeness [%]	94.4	95.2
Redundancy	3
CC(1/2)	0.971	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	20% PEG 6000, 0.1M HEPES pH 7, 0.2M magnesium chloride, 6% glycerol, 0.01M Hexammine cobalt(III) chloride. Microseeding. Cryoprotectant: ethylene glycol.