5NOP

Structure of Mojiang virus attachment glycoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-30
Detector	PSI PILATUS 6M
Wavelength(s)	0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	60.040, 102.310, 162.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.325 - 1.940
R-factor	0.1837
Rwork	0.182
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vsm
RMSD bond length	0.006
RMSD bond angle	0.782
Data reduction software	xia2 (0.3.6.3)
Data scaling software	xia2 (0.3.6.3)
Phasing software	PHENIX (dev_2283)
Refinement software	PHENIX (dev_2283)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.330	49.330	1.990
High resolution limit [Å]	1.940	8.680	1.940
Rmerge	0.156	0.036	0.820
Number of reflections	74486
<I/σ(I)>	8.7	30.4	1.9
Completeness [%]	99.7	99.1	98.4
Redundancy	5.2	4.6	5
CC(1/2)	0.992	0.999	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	16.4% PEG 6000, 0.82 M lithium chloride, 0.082 M citrate pH 5.0