6KY0

Crystal structural of active-site human glutathione-specific gamma-glutamylcyclotransferase 2(ChaC2) mutant with Glutamate 74 replaced by Glutamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-20
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97950
Spacegroup name	P 31
Unit cell lengths	72.996, 72.996, 104.324
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.630 - 2.060
R-factor	0.2253
Rwork	0.225
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k95
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (refmac 5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.079
Number of reflections	38639	1956
<I/σ(I)>	22.7
Completeness [%]	99.7
Redundancy	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	3M sodium acetate trihydrate (pH 7.0)