7CQD

The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 235 and 236

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9800
Spacegroup name	P 1 21 1
Unit cell lengths	81.360, 80.175, 168.540
Unit cell angles	90.00, 95.70, 90.00

Refinement procedure

Resolution	38.990 - 3.200
R-factor	0.2657
Rwork	0.265
R-free	0.28590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yo0 3wkl
RMSD bond length	0.003
RMSD bond angle	0.854
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]	38.990	3.360
High resolution limit [Å]	3.200	3.200
Rmerge	0.115	0.965
Number of reflections	70558	4745
<I/σ(I)>	8	1.2
Completeness [%]	99.5
Redundancy	3.4
CC(1/2)	0.994	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10%(wt/vol) PEG 3350, 0.2 M L-proline, 0.1 M HEPES-Na (pH 7.5)