5V4Q

Crystal Structure of human GGT1 in complex with DON

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1
Spacegroup name	C 2 2 21
Unit cell lengths	105.512, 127.345, 103.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 2.200
R-factor	0.16603
Rwork	0.163
R-free	0.21893
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4z9o
RMSD bond length	0.013
RMSD bond angle	1.483
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0073)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.920	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.115	0.596
Number of reflections	34792	1661
<I/σ(I)>	12.6	2.25
Completeness [%]	99.7	97.6
Redundancy	5.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	20_25% PEG3350, 0.1 M ammonium chloride, 0.1M Na cacodilate pH6.0