7PQ7

Crystal structure of Campylobacter jejuni DsbA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	C 1 2 1
Unit cell lengths	120.876, 51.726, 75.541
Unit cell angles	90.00, 125.14, 90.00

Refinement procedure

Resolution	42.650 - 1.550
R-factor	0.1777
Rwork	0.177
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l9u
RMSD bond length	0.019
RMSD bond angle	1.613
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (MRage)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	1.640
High resolution limit [Å]	1.550	1.550
Rmeas	0.043	0.816
Number of reflections	55179	8791
<I/σ(I)>	16.31	1.53
Completeness [%]	98.6	97.4
Redundancy	3.52	3.51
CC(1/2)	0.999	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	in Morpheus 2-33 conditions (0.08 M Carboxylic acids 0.1 M Buffer System 3 8.5 50 % v/v Precipitant Mix 1)