5HWI

Crystal structure of selenomethionine labelled gama glutamyl cyclotransferease specific to glutathione from yeast

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 42 21 2
Unit cell lengths	110.545, 110.545, 42.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.400 - 1.755
R-factor	0.1697
Rwork	0.168
R-free	0.21040
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.212
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((1.10.1_2155))
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.100	0.930
Number of reflections	25966
<I/σ(I)>	41.9	2.1
Completeness [%]	96.3	76.5
Redundancy	34.9	15.2
CC(1/2)	0.960	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1 M Succinic acid, 0.1 M HEPES, 1%(w/v) PEG MME-2000