9PGX

Crystal structure of STEAP2 N-domain soaked with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	68.104, 68.104, 95.201
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.490 - 1.460
R-factor	0.1598
Rwork	0.159
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.166
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.490
High resolution limit [Å]	1.460	3.960	1.460
Rmerge	0.060	0.023	1.185
Rmeas	0.064	0.024	1.250
Rpim	0.020	0.008	0.393
Total number of observations	443112
Number of reflections	44810	2408	2181
<I/σ(I)>	9
Completeness [%]	99.5	98.9	97.6
Redundancy	9.9	9.3	9.6
CC(1/2)	0.998	1.000	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Bis-Tris pH 5.5, 2.0 M ammonium sulfate