4AX8

Medium resolution structure of the bifunctional kinase- methyltransferase WbdD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND
Synchrotron site	Diamond
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	I 2 3
Unit cell lengths	167.340, 167.340, 167.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.320 - 3.000
R-factor	0.21345
Rwork	0.212
R-free	0.23282
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.017
RMSD bond angle	1.837
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.100
Number of reflections	19185
<I/σ(I)>	20.1	1.1
Completeness [%]	99.5	97.5
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.26 M LITHIUM SULFATE, 0.1 M TRIS-HCL PH 8.4, 1.12 M AMMONIUM SULFATE, 5 MM SAM/MG/ATP