5MBT

CeuE (H227L, Y288F variant) a periplasmic protein from Campylobacter jejuni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	110
Detector technology	PIXEL
Collection date	2016-04-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	57.163, 62.684, 67.092
Unit cell angles	82.73, 77.33, 76.54

Refinement procedure

Resolution	60.770 - 1.800
R-factor	0.19708
Rwork	0.195
R-free	0.23981
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zkw
RMSD bond length	0.018
RMSD bond angle	1.864
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.770	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.085	0.983
Number of reflections	78620
<I/σ(I)>	7.4	1.2
Completeness [%]	96.2	96.4
Redundancy	3.5	3.4
CC(1/2)	0.995	0.459

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	0.1M MIB, pH 9.0; 25% Peg 1500.