5J5N

Crystal structure of the R39W mutant of Populus trichocarpa glutathione transferase PtGSTU30 in complex with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	97.355, 59.215, 79.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.603 - 2.629
R-factor	0.1921
Rwork	0.188
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j4u
RMSD bond length	0.009
RMSD bond angle	1.281
Data reduction software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.700
High resolution limit [Å]	2.600	2.650
Number of reflections	14017
<I/σ(I)>	22.105	2
Completeness [%]	99.2
Redundancy	6	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	291.15	30% (w/v) PEG 4000, 0.2M Ammonium acetate, 0.1M Sodium cacodylate trihydrate, pH 6.6