8BNW

X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - 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	2021-02-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976300
Spacegroup name	C 2 2 21
Unit cell lengths	35.369, 118.433, 141.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.623 - 2.133
Rwork	0.222
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bf6
RMSD bond length	0.008
RMSD bond angle	1.246
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]	70.623	70.520	2.190
High resolution limit [Å]	2.130	9.050	2.130
Rmerge	0.069	0.018	3.272
Rmeas	0.074	0.019	3.543
Rpim	0.028	0.007	1.352
Number of reflections	17078	266	1377
<I/σ(I)>	17.8
Completeness [%]	100.0
Redundancy	12.7	10.4	12.9
CC(1/2)	1.000	1.000	0.377

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	17% PEG 3350; 0.1M MES, pH 6.5, 0.1M MgAc; Cryo- EthGl