6OQE

X-ray structure of H6N6-NS1 delta(80-84) R38A K41A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	293.15
Detector technology	CCD
Collection date	2016-04-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999949
Spacegroup name	P 65 2 2
Unit cell lengths	106.156, 106.156, 79.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.612 - 3.899
R-factor	0.2473
Rwork	0.245
R-free	0.29430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oph
RMSD bond length	0.003
RMSD bond angle	0.559
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_3406: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.612	4.000
High resolution limit [Å]	3.899	3.899
Rmerge	0.136	0.940
Number of reflections	2536	196
<I/σ(I)>	12.8
Completeness [%]	95.2	99.4
Redundancy	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	0.2 M Sodium citrate tribasic dehydrate, 0.1 M Tris hydrochloride pH 7.0, and 15% (v/v) PEG 400