8I0J

JB13GH39P28 mutant-D41G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	56.132, 63.640, 144.303
Unit cell angles	90.00, 93.76, 90.00

Refinement procedure

Resolution	48.000 - 1.440
R-factor	0.14605
Rwork	0.144
R-free	0.18399
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.571
Data reduction software	DIALS (DIALS 3.7.2)
Data scaling software	DIALS (DIALS 3.7.2)
Phasing software	PHENIX (Phenix1.15.1-3469)
Refinement software	PHENIX (1.15.1-3469)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.491
High resolution limit [Å]	1.440	1.440
Rmerge	0.119	0.632
Rmeas	0.131	0.683
Rpim	0.054	0.257
Number of reflections	178820	17942
<I/σ(I)>	16.26	4.93
Completeness [%]	98.9	98.9
Redundancy	6.2	6.5
CC(1/2)	0.977	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	PACT G10 20% w/v PEG3350;100mM BIS-TRIS propane PH7.5