2HXV

Crystal structure of a diaminohydroxyphosphoribosylaminopyrimidine deaminase/ 5-amino-6-(5-phosphoribosylamino)uracil reductase (tm1828) from thermotoga maritima at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000001
Spacegroup name	I 4 2 2
Unit cell lengths	104.180, 104.180, 145.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.341 - 1.800
R-factor	0.162
Rwork	0.160
R-free	0.19500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.690
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.341		1.860
High resolution limit [Å]	1.800	3.070	1.800
Rmerge	0.072	0.043	0.719
Number of reflections	37367
<I/σ(I)>	14.96	35	1.71
Completeness [%]	99.7	99.7	97.7
Redundancy	4.945		3.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	5.0% PEG-3000, 10.0% Glycerol, 30.0% PEG-400, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	5.0% PEG-3000, 10.0% Glycerol, 30.0% PEG-400, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K