6Z5H

Crystal structure of Aeromonas exotoxin A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	52.371, 140.215, 96.821
Unit cell angles	90.00, 101.79, 90.00

Refinement procedure

Resolution	49.575 - 2.300
Rwork	0.204
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ikq
RMSD bond length	0.005
RMSD bond angle	1.331
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.360	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.128	0.845
Rmeas	0.140	0.946
Rpim	0.055	0.414
Number of reflections	60033	3899
<I/σ(I)>	12.5	2.8
Completeness [%]	99.0	87.2
Redundancy	12.6	9.7
CC(1/2)	0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	12 % v/v polyethylene glycol 6000, 0.1 M MES pH 5.5, 0.1 M ammonium acetate