7CQC

The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 181 and 184

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	52.358, 75.203, 172.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.970 - 2.500
R-factor	0.2316
Rwork	0.230
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yoo 3wkl
RMSD bond length	0.002
RMSD bond angle	0.540
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.680	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.093	1.469
Number of reflections	47746	2685
<I/σ(I)>	13.1	1.5
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.998	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20%(wt./vol.) PEG 3350, 0.2 M potassium sodium tartrate