3TW5

Crystal structure of the GP42 transglutaminase from Phytophthora sojae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 62 2 2
Unit cell lengths	195.480, 195.480, 137.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.950
R-factor	0.21584
Rwork	0.215
R-free	0.23426
Structure solution method	SIRAS
RMSD bond length	0.006
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.026
High resolution limit [Å]	2.950	2.950
Rmerge	0.140	0.660
Number of reflections	31882
<I/σ(I)>	15.5	2.75
Completeness [%]	96.4	98.2
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	11	293	1.6M ammonium sulfate, 0.2M lithium sulfate, 0.1M N-cyclohexyl-3-aminopropanesulfonic acid (CAPS), pH 11.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	11	293	1.6M ammonium sulfate, 0.2M lithium sulfate, 0.1M N-cyclohexyl-3-aminopropanesulfonic acid (CAPS), pH 11.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K