9PGW

Crystal structure of STEAP2 N-domain soaked with NADP+ (second collection)

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	68.123, 68.123, 95.225
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.500 - 1.460
R-factor	0.1881
Rwork	0.187
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.257
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	0.077	0.026	1.383
Rmeas	0.081	0.027	1.466
Rpim	0.025	0.009	0.482
Total number of observations	441018
Number of reflections	44839	2409	2178
<I/σ(I)>	7.1
Completeness [%]	99.5	98.9	97.8
Redundancy	9.8	9.3	8.9
CC(1/2)	0.998	0.999	0.580

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