7RAH

Adenylate cyclase toxin RTX domain fragment bound to M1H5 Fab and M2B10 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2019-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	65.559, 117.020, 254.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.810 - 2.600
R-factor	0.1962
Rwork	0.195
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cvw
RMSD bond length	0.002
RMSD bond angle	0.547
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.170	2.670
High resolution limit [Å]	2.600	2.600
Number of reflections	61228	4468
<I/σ(I)>	7.4	2.2
Completeness [%]	100.0	100
Redundancy	5.7
CC(1/2)	0.983	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.1M sodium potassium phosphate pH 6.2, 10% PEG8000, 0.2M NaCl, 3% sucrose