4FQA

Crystal structure of toxic effector Tse1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-15
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	37.640, 61.460, 64.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.18308
Rwork	0.181
R-free	0.22833
Structure solution method	SIRAS
RMSD bond length	0.017
RMSD bond angle	1.474
Data reduction software	CrystalClear
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.250
High resolution limit [Å]	2.100	2.140
Rmerge	0.118	0.313
Number of reflections	11866
<I/σ(I)>		3.7
Completeness [%]	96.7	100
Redundancy	5.6	6.24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.3	293	100mM Tris, 25%PEG3350, mM DTT, pH 8.3, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	8.3	293	100mM Tris, 25%PEG3350, mM DTT, pH 8.3, VAPOR DIFFUSION, temperature 293K