5BZ0

Crystal structure of IBV papain-like protease PLpro C101S mutant in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-10
Detector	RIGAKU AFC11
Wavelength(s)	1.5
Spacegroup name	P 21 21 21
Unit cell lengths	63.058, 74.812, 95.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.681 - 2.100
R-factor	0.193
Rwork	0.191
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x2z
RMSD bond length	0.009
RMSD bond angle	1.182
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.055	0.030	0.207
Total number of observations	189910
Number of reflections	27041
<I/σ(I)>	17.1
Completeness [%]	99.9	98.6	100
Redundancy	7	6.6	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES pH 7.5, 20% w/v Polyethylene glycol 10,000.