4USS

Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-08
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	36.530, 92.409, 86.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.525 - 2.500
R-factor	0.1862
Rwork	0.183
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ppu
RMSD bond length	0.003
RMSD bond angle	0.668
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.530	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.160	0.790
Number of reflections	10702
<I/σ(I)>	12.1	3
Completeness [%]	99.6	82.1
Redundancy	10.8	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1