9LB4

mutant G490N/V492M of HEV-1 E2s domain

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	39.488, 43.790, 73.869
Unit cell angles	90.00, 102.53, 90.00

Refinement procedure

Resolution	25.459 - 1.303
R-factor	0.1367
Rwork	0.136
R-free	0.15640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rkc
RMSD bond length	0.008
RMSD bond angle	1.231
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge		0.043	0.324
Rmeas		0.047	0.348
Rpim		0.018	0.126
Number of reflections	58619	3046	2893
<I/σ(I)>	14.2
Completeness [%]	97.3	97.1	95.5
Redundancy	7.4	7.2	7.5
CC(1/2)		0.997	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293.15	0.1 M NaAc and 2 M (NH4)2SO4