8VAI

Crystal structure of apo CtCADD from Chlamydia trachomatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00005
Spacegroup name	P 32 2 1
Unit cell lengths	94.528, 94.528, 120.673
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.570 - 2.070
R-factor	0.1854
Rwork	0.183
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	Aimless (1.12.15)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.570	2.144
High resolution limit [Å]	2.070	2.070
Rmerge	0.148	0.524
Rmeas	0.157	0.553
Rpim	0.052	0.175
Number of reflections	38531	3795
<I/σ(I)>	7.57	2.18
Completeness [%]	99.9	99.97
Redundancy	9.3	9.9
CC(1/2)	0.993	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	291	0.2M Lithium citrate tribasic tetrahydrate, 20% w/v PEG-3350