2V54

Crystal structure of vaccinia virus thymidylate kinase bound to TDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	56.770, 55.590, 161.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.2163
Rwork	0.216
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e2g
RMSD bond length	0.007
RMSD bond angle	1.327
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.550
High resolution limit [Å]	2.400	2.400
Rmerge	0.100	0.590
Number of reflections	79520
<I/σ(I)>	12.3	2.25
Completeness [%]	97.2	93.6
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				23% PEG 400, 100 MM NA ACETATE, 100 MM MES PH 6.5