2Z3I

Crystal structure of blasticidin S deaminase (BSD) mutant E56Q complexed with substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	55.330, 69.578, 145.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.178
Rwork	0.175
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wn5
RMSD bond length	0.012
RMSD bond angle	1.512
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Rmerge	0.057
Number of reflections	48599
Completeness [%]	91.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% PEG8000, 0.1M SODIUM CACODYLATE, 50MM MAGNESIUM CHROLIDE, 1MM BLASTICIDIN-S, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K