1UX0

Bacillus subtilis cytidine deaminase with an Arg56 - Gln substitution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-22
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	74.880, 66.098, 55.514
Unit cell angles	90.00, 115.64, 90.00

Refinement procedure

Resolution	19.950 - 1.990
R-factor	0.191
Rwork	0.191
R-free	0.20700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1jtk
RMSD bond length	0.004
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.040
High resolution limit [Å]	1.990	1.990
Rmerge	0.106	0.351
Number of reflections	16761
<I/σ(I)>	16.9	3.2
Completeness [%]	100.0	99.4
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6		VAPOUR DIFFUSION AT RT: PROTEIN: 4.6 MG/ML + 5 MM TETRAHYDRODEOXYURIDINE PRECIPITANT: 17-23 % MPD, 10 MM CALCIUM CHLORIDE 0.1 M SODIUM ACETATE, pH 4.60