4WR5

Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-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	2012-12-18
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	P 65 2 2
Unit cell lengths	63.700, 63.700, 224.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.350 - 1.930
R-factor	0.189
Rwork	0.187
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ua5
RMSD bond length	0.009
RMSD bond angle	1.158
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]	45.000	2.040
High resolution limit [Å]	1.925	1.930
Rmerge	0.117	0.659
Number of reflections	21466
<I/σ(I)>	22.69	5.04
Completeness [%]	100.0	99.8
Redundancy	20.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.0M AMMONIUM SULFATE, 0.1M MES PH 7.0