4ZCG

Crystal Structure of human GGT1 in complex with Glutamate (with all atoms of glutamate)

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	2013-08-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	C 2 2 21
Unit cell lengths	105.242, 125.230, 104.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.020 - 2.220
R-factor	0.1483
Rwork	0.146
R-free	0.18520
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4gdx
RMSD bond length	0.011
RMSD bond angle	1.411
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	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.095	0.055	0.452
Rmeas	0.100	0.058	0.542
Rpim	0.029	0.016	0.291
Total number of observations	391920
Number of reflections	37862
<I/σ(I)>	9.6
Completeness [%]	93.0	100	52.4
Redundancy	10.4	12.1	2.6
CC(1/2)		0.999	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	PEG3350, NH4Cl