3G77

Bacterial cytosine deaminase V152A/F316C/D317G mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-07-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.48
Spacegroup name	H 3 2
Unit cell lengths	108.938, 108.938, 240.762
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.130 - 1.800
R-factor	0.172
Rwork	0.171
R-free	0.19900
Data reduction software	CrystalClear
Data scaling software	d*TREK (9.7 W8RSSI)
Phasing software	PHASES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.710	37.130	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.033	0.022	0.071
Total number of observations		21491	19506
Number of reflections	50592
<I/σ(I)>		50.5	13
Completeness [%]	98.7	94.4	99.2
Redundancy	4.01	4.16	3.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20% PEG 8000, 100 mM magnesium chloride, 10 mM 4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K