6SHY

Structure of L320A/H321S double 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	2017-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979250
Spacegroup name	P 1
Unit cell lengths	51.302, 58.580, 78.677
Unit cell angles	87.51, 78.08, 74.32

Refinement procedure

Resolution	45.820 - 1.810
R-factor	0.1776
Rwork	0.176
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wu4
RMSD bond length	0.006
RMSD bond angle	1.503
Data reduction software	XDS
Data scaling software	Aimless (7.0.039)
Phasing software	MOLREP (7.0.039)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.820	1.850
High resolution limit [Å]	1.810	1.810
Rmerge	0.111	0.648
Rmeas	0.136	0.801
Rpim	0.077	0.463
Number of reflections	75674	4471
<I/σ(I)>	5.6	2
Completeness [%]	96.2	94.8
Redundancy	2.8
CC(1/2)	0.984	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	20% PEG 6000, 0.1 M Tris pH 8.0, 0.2 M NaCl, 10% MPD, 0.01 M Hexammine cobalt(III) chloride. Microseeding.