7PQF

Crystal structure of Campylobacter jejuni DsbA2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-18
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	43.491, 43.491, 196.312
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.660 - 1.820
R-factor	0.2008
Rwork	0.199
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pq7
RMSD bond length	0.009
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.260	1.920
High resolution limit [Å]	1.810	1.810
Rmerge	0.116	0.271
Rmeas	0.121	0.282
Number of reflections	20471	3072
<I/σ(I)>	14.6	1.04
Completeness [%]	99.2	95.3
Redundancy	13.86	13.89
CC(1/2)	0.999	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	LMB F5 condition (29% w/v PEG 4000, 0.1M Sodium citrate, 0.1M Magnesium acetate tetrahydrate, 0.1M Ammonium sulfate, pH 6.5). Starting protein concentration 130 mg/ml.