6L08

Crystal structure of Arabidopsis cytidine deaminase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	112.644, 112.644, 111.585
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.637 - 2.999
R-factor	0.2508
Rwork	0.249
R-free	0.28460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1af2
RMSD bond length	0.003
RMSD bond angle	0.838
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	2.990	6.460	3.000
Rmerge	0.066	0.024	1.380
Rmeas	0.069	0.025	1.454
Rpim	0.022	0.008	0.450
Number of reflections	16815	1774	1667
<I/σ(I)>	13.7
Completeness [%]	99.7	98.7	99.9
Redundancy	9.8	8.5	10.4
CC(1/2)		0.999	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277.15	0.1 M MES sodium salt pH6.5, 2.0 M ammonium sulfate, 5% (w/v) PEG 400 and 0.1 M TCEP hydrochloride