3O98

Glutathionylspermidine synthetase/amidase C59A complex with ADP and Gsp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-31
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	60.380, 76.200, 84.220
Unit cell angles	70.81, 74.37, 78.64

Refinement procedure

Resolution	30.000 - 2.800
Rwork	0.220
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iob
RMSD bond length	0.010
RMSD bond angle	1.333
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.096
Number of reflections	31316
<I/σ(I)>	15.9
Completeness [%]	96.3	94.7
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	12% PEG 3350, 0.5M MgCl2, 0.1M Tris pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K