6FQ4

Structure of Chlamydial virulence factor TarP and vinculin head domain

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	2016-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 2
Unit cell lengths	51.807, 66.873, 95.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.830 - 2.890
R-factor	0.28944
Rwork	0.286
R-free	0.34593
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zdl
RMSD bond length	0.010
RMSD bond angle	1.430
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.830	3.050
High resolution limit [Å]	2.890	2.890
Rmerge	0.156	0.806
Rmeas	0.171	0.882
Rpim	0.070	0.355
Number of reflections	7888	1131
<I/σ(I)>	8.1	2.5
Completeness [%]	99.8	99.9
Redundancy	6.1	6.3
CC(1/2)	0.994	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	0.1 M sodium citrate tribasic dehydrate pH 5.6, 20% 2-propanol