3NJQ

Crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with dimer disruptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-15
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	69.317, 95.994, 119.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 2.000
R-factor	0.205
Rwork	0.203
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.979
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.040
High resolution limit [Å]	2.000	5.130	2.000
Rmerge	0.063	0.019	0.580
Number of reflections	27034
<I/σ(I)>	9.5
Completeness [%]	99.9	99.7	100
Redundancy	4.1	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2M NaCl, 0.05M CaCo, 2M (NH4)2SO4, 0.1M Urea, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K