6TPL

D0-D1 domain of Intimin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	33.737, 45.325, 67.561
Unit cell angles	97.08, 97.55, 99.90

Refinement procedure

Resolution	24.770 - 1.800
R-factor	0.1894
Rwork	0.187
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f02
RMSD bond length	0.003
RMSD bond angle	0.579
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.149	1.862
High resolution limit [Å]	1.797	1.797
Rmerge	0.101	0.521
Rmeas	0.118	0.607
Rpim	0.060	0.310
Number of reflections	32902	3238
<I/σ(I)>	7.49
Completeness [%]	91.3
Redundancy	3.8
CC(1/2)	0.992	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1 M Tris, pH 8.5, 0.2 MgCl2, 25% PEG 3350. Glycerol added to the reservoir only to extract additional water