3R2N

Crystal structure of cytidine deaminase from Mycobacterium leprae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	56.840, 79.740, 104.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.1844
Rwork	0.182
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mpz
RMSD bond length	0.014
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.081	0.021	0.475
Number of reflections	21604	287	1544
<I/σ(I)>	16.65	43.67	3.98
Completeness [%]	99.2	98	97.5
Redundancy	6		5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	MyleA.00495.a.A1 PS00720 at 66.15 mg/mL against JCSG+ screen condition D6, 0.2 M MgCl2, 0.1 M Tris pH 8.5, 20% PEG 8000 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 217493d6, VAPOR DIFFUSION, SITTING DROP, temperature 289K