9P27

Crystal structure of GH158(Pro) at 1.33 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	2020-10-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.37
Spacegroup name	P 21 21 21
Unit cell lengths	48.329, 70.427, 115.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.190 - 1.330
R-factor	0.1687
Rwork	0.168
R-free	0.19750
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.446
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.190	44.760	1.410
High resolution limit [Å]	1.330	3.980	1.330
Rmerge	0.056	0.054	0.392
Rmeas	0.078	0.076	0.555
Number of reflections	88740	4195	11745
<I/σ(I)>	5.2
Completeness [%]	98.5
Redundancy	6.08
CC(1/2)	0.991	0.985	0.698

Crystallization Conditions

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