4ZBB

Crystal structure of the glutathione transferase URE2P8 from Phanerochaete chrysosporium complexed with glutathionyl-S-dinitrobenzene.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999
Spacegroup name	P 21 21 21
Unit cell lengths	53.451, 92.156, 184.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.263 - 1.800
R-factor	0.1669
Rwork	0.166
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zba
RMSD bond length	0.013
RMSD bond angle	0.771
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.065	0.325
Number of reflections	85430
<I/σ(I)>	6.5	5.1
Completeness [%]	99.4	96.5
Redundancy	18.9	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		278	30 % PEG4000, 0.1M TRIS pH8.5, 0.2M Sodium Acetate trihydrate