6KU8

structure of HRV-C 3C protein with rupintrivir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	293.15
Detector technology	PIXEL
Collection date	2016-08-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.998
Spacegroup name	C 2 2 21
Unit cell lengths	52.903, 95.626, 98.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
Rwork	0.184
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zv8
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (v1.11)
Refinement software	PHENIX (v1.11)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.060	0.263
Number of reflections	16114	1496
<I/σ(I)>	22.8
Completeness [%]	92.1
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289.15	0.05 M citric acid, 0.05 M BIS-TRIS propane, pH 5.0, 16% (w/v) polyethylene glycol 3,350.