4CKE

Vaccinia virus capping enzyme complexed with SAH in P1 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-06
Detector	ADSC QUANTUM 4
Spacegroup name	P 1
Unit cell lengths	61.130, 62.020, 198.500
Unit cell angles	90.01, 85.53, 71.69

Refinement procedure

Resolution	41.813 - 2.900
R-factor	0.2571
Rwork	0.255
R-free	0.29470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vdw
RMSD bond length	0.003
RMSD bond angle	0.796
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.120	0.450
Number of reflections	57928
<I/σ(I)>	5.42	1.73
Completeness [%]	94.8	95.4
Redundancy	1.9	1.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	293	PROTEIN SOLUTION AT 4 MG/ML IN 40 MM TRIS-HCL, PH 8.0, 200 MM NACL, 5 MM DTT WITH 5 MM ADOMET, 1 MM MGCL2 AND 2 MM M7GPPPG. RESERVOIR SOLUTION CONTAINS 0.1 M MES, PH 6.0, 1 M LICL, 10% PEG6000 AT 20 C.