1TIY

X-RAY STRUCTURE OF GUANINE DEAMINASE FROM BACILLUS SUBTILIS NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR160

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97914, 0.97933, 0.97778
Spacegroup name	P 43 21 2
Unit cell lengths	99.287, 99.287, 72.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.390 - 2.500
R-factor	0.222
Rwork	0.222
R-free	0.27300
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge		0.429
Number of reflections	10341
<I/σ(I)>	12.4
Completeness [%]	99.5
Redundancy	18.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5		1.7-1.8 M (Nh4)2So4, 0.2M K-Na Tartrate, 0.02M Na3-citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP