4P3H

Crystal structure of Kaposi's sarcoma-associated herpesvirus (KSHV) 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	2013-09-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	69.120, 95.892, 119.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.812 - 1.450
R-factor	0.1741
Rwork	0.173
R-free	0.19480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3njq
RMSD bond length	0.012
RMSD bond angle	1.457
Data scaling software	SCALA (3.3.21)
Phasing software	PHENIX (Phenix 1.8.4 Phaser 2.1)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.812	59.812	1.510
High resolution limit [Å]	1.430	4.520	1.430
Rmerge		0.058	0.919
Rmeas	0.102
Rpim	0.028	0.018	0.362
Total number of observations	748120	34013	84478
Number of reflections	135014
<I/σ(I)>	13.1	36.8	2.1
Completeness [%]	100.0	100	100
Redundancy	10.2	13.6	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	0.1M sodium acetate pH 7.8, 0.88 M NaH2PO4, 1.32 M K2HPO4, 0.2 M KCl