6TQD

D00-D0 domain of Intimin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	56.039, 65.473, 79.378
Unit cell angles	77.78, 76.55, 84.76

Refinement procedure

Resolution	24.830 - 1.480
R-factor	0.1807
Rwork	0.179
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f00
RMSD bond length	0.005
RMSD bond angle	0.708
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.830	1.532
High resolution limit [Å]	1.479	1.479
Rmerge	0.129	0.573
Rmeas		0.696
Number of reflections	175969	16162
<I/σ(I)>	6.4	1.54
Completeness [%]	98.2
Redundancy	4.6
CC(1/2)	0.979	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	D00-D0 50 mg/ml. in 400mM NaCl 10 mM Hepes pH 7.5. Reservoir solution 150 mM KBr. 30% PEG2000mme