7KM2

Dodecameric Structure of the Chlamydia trachomatis Flavin Prenyltransferase UbiX Ortholog CT220 with FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	298
Detector technology	CCD
Collection date	2016-10-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	90.675, 151.091, 167.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.920 - 2.190
R-factor	0.1903
Rwork	0.190
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zaf
RMSD bond length	0.015
RMSD bond angle	0.985
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.190	2.190
Rmerge	0.077	0.710
Number of reflections	116816	5680
<I/σ(I)>	21.13	2.58
Completeness [%]	98.9	96.8
Redundancy	6.9	6.8
CC(1/2)		0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	200mM Magnesium Acetate Tetrahydrate, 20% PEG-3350