2PN7

Human gamma-glutamyl cyclotransferase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97934, 0.97948
Spacegroup name	P 21 21 21
Unit cell lengths	35.181, 98.668, 100.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.410
R-factor	0.19256
Rwork	0.190
R-free	0.25089
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.506
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MLPHARE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.133	0.486
Number of reflections	13898
<I/σ(I)>	11.14	2.09
Completeness [%]	98.3	90.2
Redundancy	6.1	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.9	277	2 micro L of Selenomethionine containing GGCT (15mg/ml in 20 mM Tris/HCL 0,1mM dithiothreitol pH8.0) was mixed with equal volumes of gamma-glu-glu dipeptide (40mM) and well solution. The well contained 1ml of a solution comprising PEG 4000 (22.5% w/v), 100mM sodium formate buffer pH3.9, 200mM ammonium acetate. , VAPOR DIFFUSION, HANGING DROP, temperature 277K