4F3W

Crystal structure of cytidine deaminase Cdd from Mycobacterium marinum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	47.470, 48.710, 53.920
Unit cell angles	100.19, 110.42, 98.39

Refinement procedure

Resolution	48.980 - 1.800
R-factor	0.182
Rwork	0.180
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ijf
RMSD bond length	0.012
RMSD bond angle	1.478
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.040	0.027	0.181
Number of reflections	39961	441	2860
<I/σ(I)>	25.76	57.13	5.98
Completeness [%]	99.1	98.7	96.1
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	MymaA.00495.a.A1 PS00823 at 20 mg/mL against JCSG+ A8 0.2 M sodium formate, 20% PEG 3350, crystal tracking ID 232847a8, VAPOR DIFFUSION, SITTING DROP, temperature 289K