4OPA

X-ray structure of H6N6-NS1 delta(80-84) mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	95
Detector technology	CCD
Collection date	2012-04-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	43.870, 120.850, 53.260
Unit cell angles	90.00, 103.42, 90.00

Refinement procedure

Resolution	60.420 - 2.700
Rwork	0.200
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2GX9 AND 3F5T
RMSD bond length	0.010
RMSD bond angle	1.235
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.420
High resolution limit [Å]	2.700	2.700
Rmerge	0.096	0.706
Number of reflections	14455
<I/σ(I)>		1.8
Completeness [%]	97.3	96.2
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295.15	200 mM potassium thiocyanate, 20% PEG3350, 100 mM HEPES, pH 7.0, a 10 mM stock of GSH/GSSG (Hampton Additive Screen) was used as additive, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K