1AT3

HERPES SIMPLEX VIRUS TYPE II PROTEASE

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1996-05
Detector	SIEMENS
Spacegroup name	P 21 21 2
Unit cell lengths	71.720, 87.430, 77.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.205
Rwork	0.205
R-free	0.29100
Structure solution method	MR, MIR
Starting model (for MR)	1vzv
RMSD bond length	0.015
RMSD bond angle	24.700 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.610
High resolution limit [Å]	2.500	2.500
Rmerge	0.095	0.240
Total number of observations	78502 *
Number of reflections	15788 *
<I/σ(I)>	12	3
Completeness [%]	91.0	88
Redundancy	5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5		10% PEG4000, PH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	10 (%)	pH5.0
2	1	drop	enzyme	10 (mg/ml)