4WX7

Crystal structure of adenovirus 8 protease with a nitrile inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 32
Unit cell lengths	40.793, 40.793, 191.752
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.330 - 2.400
R-factor	0.2435
Rwork	0.239
R-free	0.32090
RMSD bond length	0.014
RMSD bond angle	1.771
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.330		2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.129	0.066	0.388
Rmeas	0.153	0.076	0.481
Total number of observations	52847
Number of reflections	15648	169	1149
<I/σ(I)>	6.73	13.92	2.24
Completeness [%]	98.6	99.4	98
Redundancy	3.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Reservoir: 20% w/v PEG3350, 0.2 M Na citrate Crystallization Protein Solution = 20 mg/ml adenain in 20 mM Tris, 100 mM NaCl, pH 7.6, nominal 5 mM inhibitor (precipitate)