9LB3

mutant N490G/M492V of E2s domain of HEV-4 ORF2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	39.184, 43.129, 73.340
Unit cell angles	90.00, 103.00, 90.00

Refinement procedure

Resolution	25.123 - 0.950
R-factor	0.1265
Rwork	0.126
R-free	0.13710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rkc
RMSD bond length	0.005
RMSD bond angle	0.890
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	0.970
High resolution limit [Å]	0.950	2.580	0.950
Rmerge	0.054	0.038	0.447
Total number of observations	1024601
Number of reflections	148883	7052	7025
<I/σ(I)>	14.9
Completeness [%]	99.2	91.3	94
Redundancy	6.9	6.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293.15	0.1 M Bis-Tris buffer (pH 5.5) and 2 M (NH4)2SO4