4Q5N

Crystal structure of the gluthatione S-transferase Blo t 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-03
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.550, 80.272, 126.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.547 - 2.550
R-factor	0.2269
Rwork	0.224
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.734
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MLPHARE
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.550	2.550
Number of reflections	17116
<I/σ(I)>	7.5
Completeness [%]	98.2	84.8
Redundancy	6.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Bis-Tris Propane pH 7.0, Ammonium citrate,Yttrium chloride, glutathione, VAPOR DIFFUSION, SITTING DROP, temperature 293K