5UTE

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)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	68.330, 93.328, 119.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.472 - 2.050
R-factor	0.1855
Rwork	0.183
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3njq
RMSD bond length	0.014
RMSD bond angle	1.447
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]	73.470
High resolution limit [Å]	2.050
Rmerge	0.374
Number of reflections	46042
<I/σ(I)>	8.97
Completeness [%]	100.0
Redundancy	15.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			0.2M Imidazole pH 8.0, 0.4M NaH2PO4/1.6M K2HPO4, 0.2M NaCl