9P25

Crystal structure of GH158(Pro) at 0.89 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.7872
Spacegroup name	P 21 21 21
Unit cell lengths	48.280, 70.430, 115.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.560 - 0.890
R-factor	0.1456
Rwork	0.145
R-free	0.15320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.294
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.560	0.940
High resolution limit [Å]	0.890	0.890
Rmerge	0.118
Rmeas	0.120
Number of reflections	293185	89314
<I/σ(I)>	24.92
Completeness [%]	100.0
Redundancy	24.01
CC(1/2)	1.000	0.166

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG3350, 25% PEG400, 0.1M TRIS pH 8.5, 0.1M MgCl2