8B7X

X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - apo form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97622
Spacegroup name	P 1
Unit cell lengths	32.519, 35.725, 52.290
Unit cell angles	81.57, 83.24, 65.06

Refinement procedure

Resolution	32.225 - 1.420
Rwork	0.166
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zkw
RMSD bond length	0.007
RMSD bond angle	1.377
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.225	32.200	1.440
High resolution limit [Å]	1.420	7.780	1.420
Rmerge	0.033	0.025	0.323
Rmeas	0.046	0.035	0.457
Rpim	0.033	0.025	0.323
Number of reflections	37722	389	3172
<I/σ(I)>	5.8
Completeness [%]	94.9
Redundancy	2	2.1	1.7
CC(1/2)	0.998	0.996	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Index D3: 0.1M HEPES, pH 7.0, 30% Jeffamine ED 2001, pH 7.0. No cryo.