8UJM

Crystal structure of human CTDNEP1-NEP1R1 protein phosphatase complex with magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 1 21 1
Unit cell lengths	56.405, 102.953, 57.244
Unit cell angles	90.00, 118.20, 90.00

Refinement procedure

Resolution	50.450 - 2.161
R-factor	0.1978
Rwork	0.197
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.524
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.450	2.238
High resolution limit [Å]	2.161	2.161
Rmerge	0.092	0.721
Rmeas	0.130	1.020
Rpim	0.092	0.721
Number of reflections	30755	3010
<I/σ(I)>	5.67	1.13
Completeness [%]	99.5	98.56
Redundancy	2	2
CC(1/2)	0.992	0.385

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	6% PEG 3350, 0.2 M lithium citrate, 0.4% CHAPS