5JFY

Crystal structure of a plant cytidine deaminase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.97949
Spacegroup name	P 43 21 2
Unit cell lengths	99.808, 99.808, 143.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.635 - 2.101
R-factor	0.1822
Rwork	0.181
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b3j
RMSD bond length	0.003
RMSD bond angle	0.500
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.670	47.670	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.080	0.020	0.607
Total number of observations	101431	1338	6639
Number of reflections	41687
<I/σ(I)>	9.7	38.9	1.4
Completeness [%]	97.9	84.9	95
Redundancy	2.4	2.5	2
CC(1/2)	0.997	0.999	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	0.0085 M CoCl2, 0.085 sodium acetate pH 4.6, 0.85 M 1,6-hexanediol, 15% (v/v) glycerol