1UX1

Bacillus subtilis cytidine deaminase with a Cys53His and an Arg56Gln substitution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2002-09-23
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	62.484, 62.484, 221.604
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.660 - 2.360
R-factor	0.213
Rwork	0.213
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jtk
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.410
High resolution limit [Å]	2.360	2.360
Rmerge	0.059	0.217
Number of reflections	21401
<I/σ(I)>	29.8	6.9
Completeness [%]	98.9	83.9
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5		VAPOUR DIFFUSION AT RT: PROTEIN: 4.6 MG/ML, + 5 MM TETRAHYDRODEOXYURIDINE, PRECIPITANT: 30 % PEG400, 0.2M MAGNESIUM CHLORIDE, 0.1 M HEPES PH 7.5