5WEZ

Structure of the Tir-CesT effector-chaperone complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-21
Detector	RAYONIX MX300HE
Wavelength(s)	0.980
Spacegroup name	P 32 2 1
Unit cell lengths	66.960, 66.960, 75.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.989 - 2.740
R-factor	0.2112
Rwork	0.208
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k3e
RMSD bond length	0.010
RMSD bond angle	1.343
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.990	2.880
High resolution limit [Å]	2.740	2.740
Rmerge	0.062	0.800
Rpim	0.025	0.330
Number of reflections	5461	790
<I/σ(I)>	13.8	2.2
Completeness [%]	99.7	99.9
Redundancy	6.7	6.5
CC(1/2)	0.999	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 mM Tris-HCl pH 7.5, 0.2 M MgCl2, 17% (w/v) PEG3350