6KY1

Crystal structural of human glutathione-specific gamma-glutamylcyclotransferase 2 (ChaC2)mutant with Glutamate 83 replaced by Glutamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	P 31
Unit cell lengths	72.707, 72.707, 103.998
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.480 - 2.040
R-factor	0.2269
Rwork	0.225
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k95
RMSD bond length	0.005
RMSD bond angle	1.330
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.080
High resolution limit [Å]	2.040	2.040
Number of reflections	36804
<I/σ(I)>	42.521
Completeness [%]	99.9
Redundancy	6.2

Crystallization Conditions

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