5UV3

Kaposi's Sarcoma Herpesvirus Protease in Complex with Allosteric Inhibitor

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	2013-09-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	71.326, 95.828, 118.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.178 - 1.950
R-factor	0.2034
Rwork	0.202
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3njq
RMSD bond length	0.016
RMSD bond angle	1.792
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHENIX (Phenix 1.8.4 Phaser 2.1)
Refinement software	PHENIX (1.10pre_2100)

Data quality characteristics

	Overall
Low resolution limit [Å]	61.200
High resolution limit [Å]	1.950
Rmerge	0.243
Number of reflections	57222
<I/σ(I)>	10.93
Completeness [%]	100.0
Redundancy	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1M Imidazole pH 8.0, 0.42M NaH2PO4/1.68M K2HPO4, 0.2M KCl