8XUD

Crystal structure of adaptor NlpI in complex with endopeptidase MepS and PDZ-protease Prc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2022-11-07
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	230.410, 230.410, 182.905
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 3.490
R-factor	0.2358
Rwork	0.235
R-free	0.27180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.585
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.620
High resolution limit [Å]	3.490	3.490
Rpim	0.048	0.414
Number of reflections	61469	6097
<I/σ(I)>	19.76
Completeness [%]	97.4	99.1
Redundancy	7.6	6.8
CC(1/2)	0.996	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	8% (w/v) PEG 4000, 1M sodium acetate pH 4.6