4XAL

Crystal structure of the conserved core domain of VP22 from HSV-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-31
Detector	RAYONIX MX300HE
Wavelength(s)	0.9762
Spacegroup name	P 61 2 2
Unit cell lengths	64.940, 64.940, 107.645
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.923 - 1.869
R-factor	0.2105
Rwork	0.208
R-free	0.25110
Structure solution method	SIRAS
RMSD bond length	0.007
RMSD bond angle	0.964
Data reduction software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.940
High resolution limit [Å]	1.870	4.030	1.870
Rmerge	0.052	0.029	0.289
Total number of observations	119894
Number of reflections	11585
<I/σ(I)>	16.5
Completeness [%]	98.7	95.4	99.8
Redundancy	10.3	9.5	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	40% PEG 300 and 0.1 M Phosphate citrate pH 5