7C9J

Transglutaminase from Geobacillus stearothermophilus (without C-terminal extension)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-07
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	94.090, 94.090, 158.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.450 - 2.100
R-factor	0.1876
Rwork	0.186
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p8i
RMSD bond length	0.009
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.100	2.100
Rmerge	0.043	0.517
Rmeas	0.047	0.618
Number of reflections	15940	4544
<I/σ(I)>	21.16	1.89
Completeness [%]	98.6	91.8
Redundancy	5.8	2.98
CC(1/2)	0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 20000, 2-(N-morpholino)ethanesulfonic acid