2X64

GLUTATHIONE-S-TRANSFERASE FROM XYLELLA FASTIDIOSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-15
Detector	MAR scanner 345 mm plate
Spacegroup name	P 1
Unit cell lengths	47.670, 87.890, 90.780
Unit cell angles	116.53, 99.33, 94.49

Refinement procedure

Resolution	33.670 - 2.300
R-factor	0.1694
Rwork	0.167
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.350	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.090	0.420
Number of reflections	53809
<I/σ(I)>	7.9	1.9
Completeness [%]	94.5	92.1
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1