2GV9

Crystal structure of the Herpes Simplex virus type 1 DNA polymerase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0, 0.9794, 0.9504
Spacegroup name	P 21 21 21
Unit cell lengths	103.917, 125.550, 220.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 2.680
R-factor	0.2248
Rwork	0.222
R-free	0.28057
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.815
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.800
High resolution limit [Å]	2.675	2.675
Rmerge	0.071	0.849
Number of reflections	81295
<I/σ(I)>	30.2	2.4
Completeness [%]	100.0	100
Redundancy	9.1	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7		100mM HEPES, 50mM ammonium sulphate, 5mM DTT, 100mM guanidine-HCl, 4% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP