6G41

Crystal structure of SeMet-labeled mavirus penton protein

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	2015-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	129.790, 94.330, 156.380
Unit cell angles	90.00, 92.51, 90.00

Refinement procedure

Resolution	49.090 - 2.900
R-factor	0.2171
Rwork	0.214
R-free	0.26950
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.172
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.090	49.090	3.000
High resolution limit [Å]	2.900	10.000	2.900
Rmerge	0.139	0.068	0.682
Rmeas	0.142	0.070	0.700
Total number of observations	3417378
Number of reflections	163213	3942	15717
<I/σ(I)>	19.04	40.93	5.49
Completeness [%]	99.3	98.6	99
Redundancy	20.938	19.831	19.991
CC(1/2)	0.999	0.999	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris, 0.37 M NaCl, 24% PEG3350