6M1T

Bacterial beta class Sphingomonas chungbukensis Glutathione S-transferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-31
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	45.634, 95.447, 99.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.070 - 1.900
R-factor	0.2134
Rwork	0.211
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f2e
RMSD bond length	0.011
RMSD bond angle	1.784
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.053	0.039	0.154
Total number of observations	276554
Number of reflections	40525	2106	2033
<I/σ(I)>	31.6
Completeness [%]	99.3	93.9	100
Redundancy	6.8	5.7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES pH7.5, 50% saturated ammonium sulfate, 2% PEG 400