7XVJ

Crystal structure of CdpNPT in complex with harmol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-20
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.052000
Spacegroup name	P 21 21 21
Unit cell lengths	84.265, 158.669, 161.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.970 - 2.400
R-factor	0.1866
Rwork	0.184
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e0u
RMSD bond length	0.003
RMSD bond angle	0.541
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.970	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.207	1.229
Rmeas	0.223	1.322
Number of reflections	163438	63798
<I/σ(I)>	9.7	2.5
Completeness [%]	100.0	100
Redundancy	13.8	14.3
CC(1/2)	0.996	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M ammonium phosphate dibasic, 20% (w/v) PEG3350