8EQR

Crystal structure of E.coli DsbA mutant E24A

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	2020-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	80.830, 108.658, 118.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.140 - 2.290
R-factor	0.219
Rwork	0.217
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fvk
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.290	6.240	2.300
Rmerge	0.189	0.076	0.608
Rmeas	0.207	0.083	0.669
Rpim	0.082	0.033	0.270
Number of reflections	46940	2558	2239
<I/σ(I)>	3.8
Completeness [%]	98.7	99.4	95.7
Redundancy	6.5	6.6	5.6
CC(1/2)		0.996	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15-20% PEG8000, 0.1M phosphate-citrate, pH 3.8-4.4, 0.2M NaCl