2DXX

Crystal structure of Asn142 to Glu 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	2006-07-06
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	105.173, 105.173, 137.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.750
R-factor	0.199
Rwork	0.199
R-free	0.21200
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	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.147	0.408
Number of reflections	77854
<I/σ(I)>	15.7	6.16
Completeness [%]	99.9	99.9
Redundancy	10.6	10.6

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