4ZBK

Crystal Structure of human GGT1 in complex with GGsTop inhibitor

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	105.702, 123.551, 104.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.130 - 2.180
R-factor	0.1622
Rwork	0.159
R-free	0.21750
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4z9o
RMSD bond length	0.010
RMSD bond angle	1.396
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	2.220
High resolution limit [Å]	2.180	5.910	2.180
Rmerge	0.076	0.042	0.374
Total number of observations	201101
Number of reflections	34573
<I/σ(I)>	9		2.7
Completeness [%]	96.6	99.9	84.1
Redundancy	5.8	6	3.7

Crystallization Conditions

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