9MEX

Structure of phosphocysteine intermediate of human PRL1 phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.953
Spacegroup name	I 21 3
Unit cell lengths	148.164, 148.164, 148.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.850 - 2.600
R-factor	0.1959
Rwork	0.194
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.802
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.19_4092)
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.104	2.338
Number of reflections	16735	1659
<I/σ(I)>	94.6
Completeness [%]	100.0	100
Redundancy	20.8	20.3
CC(1/2)	0.962	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M potassium nitrate and 2.2 M ammonium sulfate