4Z9O

Crystal Structure of human GGT1

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	2013-08-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	C 2 2 21
Unit cell lengths	105.583, 125.288, 103.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.010 - 2.300
R-factor	0.1545
Rwork	0.152
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.448
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	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.089	0.038	0.319
Rmeas	0.098	0.042	0.366
Rpim	0.041	0.018	0.175
Total number of observations	154079
Number of reflections	28718
<I/σ(I)>	11.1
Completeness [%]	93.1	98.9	62.4
Redundancy	5.4	5.7	3.3
CC(1/2)		0.998	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	298	PEG3350, NH4Cl