8YTV

The M19 variant of Mipa-Petase from Micromonospora pattaloongensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	42.619, 51.359, 107.654
Unit cell angles	90.00, 94.33, 90.00

Refinement procedure

Resolution	38.560 - 1.890
R-factor	0.19114
Rwork	0.188
R-free	0.24145
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.290
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.500	2.010
High resolution limit [Å]	1.890	1.890
Number of reflections	35259	35259
<I/σ(I)>	7.9
Completeness [%]	99.7
Redundancy	8.6
CC(1/2)	0.980	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	PET3350, Citric acid, BIS-Tris propane