6KX9

Crystal structure of 8-mer peptide from avian influenza H5N1 virus in complex with BF2*1501

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-08
Detector	Nonius Kappa CCD
Wavelength(s)	1.54178
Spacegroup name	P 31 2 1
Unit cell lengths	124.195, 124.195, 80.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.726 - 2.902
Rwork	0.193
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e0r
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.142	0.770
Number of reflections	16169	211042
<I/σ(I)>	29.8
Completeness [%]	99.9	99.2
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	291	0.49M Sodium phosphate monobasic monohydrate, 0.91M Potassium phosphate dibasic