8DJ2

Intramolecular ester bond-containing repeat domain from Chlamydia trachomatis adhesin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.95372
Spacegroup name	P 43 21 2
Unit cell lengths	91.050, 91.050, 88.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.945 - 1.500
Rwork	0.177
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	alphafold prediction
RMSD bond length	0.004
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0349)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.530	1.520
High resolution limit [Å]	1.490	1.490
Number of reflections	60739	2798
<I/σ(I)>	11	1
Completeness [%]	99.7
Redundancy	26.6
CC(1/2)	0.996	0.294

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	291	1.3 M sodium citrate, pH 6.3