2HVV

Crystal structure of dCMP deaminase from Streptococcus mutans

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.2829, 1.2835, 1.2000
Spacegroup name	P 21 3
Unit cell lengths	113.233, 113.233, 113.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.000
R-factor	0.226
Rwork	0.223
R-free	0.25500
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.481
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.06)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.108	0.681
Number of reflections	9958
<I/σ(I)>	7.1
Completeness [%]	100.0	100
Redundancy	8.7	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris-Cl, PH8.5, 15% glycerol, 1.5M Ammonium Sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris-Cl, PH8.5, 15% glycerol, 1.5M Ammonium Sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris-Cl, PH8.5, 15% glycerol, 1.5M Ammonium Sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 293K