9PRM

Crystal structure of E.coli DsbA in complex with analogue 20

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	49.876, 99.558, 102.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.870 - 2.100
R-factor	0.186
Rwork	0.184
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.997
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.870	1.960
High resolution limit [Å]	1.910	1.910
Number of reflections	55770	3724
<I/σ(I)>	8.23
Completeness [%]	100.0
Redundancy	1.1
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3000, sodium chloride, TRIS