2EHC

Crystal structure of Asn69 to Lys mutant of Diphthine synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-24
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	104.962, 104.962, 136.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.198
Rwork	0.198
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wng
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.073	0.416
Number of reflections	71341
<I/σ(I)>	17.1	6.26
Completeness [%]	100.0	99.8
Redundancy	10.9	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	295	1.8M AMMONIUM SULFATE, 0.1M MES, 0.01M Co CHLORIDE, pH 6.5, microbatch, temperature 295K