9P2M

Crystal structure of GH158(Pro) at 1.42 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]	298
Detector technology	PIXEL
Collection date	2021-09-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 21 21 21
Unit cell lengths	48.524, 71.131, 117.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.330 - 1.420
R-factor	0.1433
Rwork	0.142
R-free	0.17060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.520	48.520	1.510
High resolution limit [Å]	1.420	4.240	1.420
Rmerge	0.075	0.043	0.983
Rmeas	0.099	0.055	1.342
Number of reflections	77648	2281	10365
<I/σ(I)>	4.71
Completeness [%]	99.9
Redundancy	13.18
CC(1/2)	0.995	0.992	0.282

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	: 20% PEG400, 20% PEG 8000, 0.1 M MgCl2, 0.1 M HEPES pH 7.0