3ZBD

Structure of TGEV nsp1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	110
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	35.640, 36.090, 42.270
Unit cell angles	91.49, 108.85, 94.20

Refinement procedure

Resolution	26.050 - 1.490
R-factor	0.1763
Rwork	0.175
R-free	0.20890
Structure solution method	SIRAS
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.400	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.060	0.480
Number of reflections	30811
<I/σ(I)>	14.3	3
Completeness [%]	96.6	95.4
Redundancy	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				5%(V/VOL) PEG 4000, 200MM AMMONIUM CHLORIDE, 30MM HEPES, 30MM MES, PH 6.2
1				5%(V/VOL) PEG 4000, 200MM AMMONIUM CHLORIDE, 30MM HEPES, 30MM MES, PH 6.2