4WR4

Crystal Structure of GST Mutated with Halogenated Tyrosine (7bGST-1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	90
Detector technology	CCD
Collection date	2013-02-08
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	P 65 2 2
Unit cell lengths	63.850, 63.850, 225.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.508 - 1.600
R-factor	0.192
Rwork	0.191
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ua5
RMSD bond length	0.010
RMSD bond angle	1.377
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.3_1479))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.508	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.109	2.130
Number of reflections	36508
<I/σ(I)>	17.2	1.31
Completeness [%]	98.9	99.5
Redundancy	13.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M TRI-SODIUM CITRATE, 1.3M AMMONIUM SULFATE, 0.2M LITHIUM SULFATE