5MBU

CeuE (H227A, 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	56.900, 62.611, 67.792
Unit cell angles	82.23, 76.96, 75.98

Refinement procedure

Resolution	65.800 - 1.810
R-factor	0.20147
Rwork	0.200
R-free	0.23858
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zkw
RMSD bond length	0.019
RMSD bond angle	1.961
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]	65.800	1.850
High resolution limit [Å]	1.810	1.810
Rmerge	0.074	0.779
Number of reflections	77003
<I/σ(I)>	8.8	1.6
Completeness [%]	95.9	96.2
Redundancy	3.4	3.3
CC(1/2)	0.996	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	=0.1M SPG, pH 9.0; 25% Peg1500.