4P2T

Crystal structure of Kaposi's sarcoma-associated herpesvirus (KSHV) protease in complex with a 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	69.737, 95.947, 119.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.753 - 2.150
R-factor	0.1911
Rwork	0.185
R-free	0.25230
Starting model (for MR)	3njq
RMSD bond length	0.003
RMSD bond angle	0.788
Data scaling software	SCALA (3.2.5)
Phasing software	PHASER (2.1)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.753	74.753	2.200
High resolution limit [Å]	2.090	6.610	2.090
Rmerge	0.118	0.032	0.708
Total number of observations	150688	5689	11776
Number of reflections	22809
<I/σ(I)>	18.1	87.9	1.7
Completeness [%]	94.8	100	72.6
Redundancy	6.6	6.7	4.7

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