4R7W

Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with phosphonocytosine

Replaces:  4JNS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	102.167, 147.808, 185.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.777 - 1.902
R-factor	0.1992
Rwork	0.198
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4JNP
RMSD bond length	0.007
RMSD bond angle	1.052
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	49.777
High resolution limit [Å]	1.902
Number of reflections	214497
Completeness [%]	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% PEG3350, 0.15M DL-MALIC ACID, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K