4ZC6

Crystal Structure of human GGT1 in complex with Serine Borate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	105.182, 124.360, 103.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.310 - 2.100
R-factor	0.1768
Rwork	0.175
R-free	0.21790
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4z9o
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]	100.000	100.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.152	0.064	0.634
Rmeas	0.166	0.070	0.701
Rpim	0.063	0.027	0.283
Total number of observations	241835
Number of reflections	38155
<I/σ(I)>	5.3
Completeness [%]	95.5	95.2	77
Redundancy	6.3	6.4	4.8
CC(1/2)		0.995	0.689

Crystallization Conditions

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