3UBQ

Influenza hemagglutinin from the 2009 pandemic in complex with ligand 3SLN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	110
Detector technology	CCD
Collection date	2010-12-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	66.876, 116.258, 118.366
Unit cell angles	60.96, 77.13, 80.40

Refinement procedure

Resolution	49.238 - 2.000
R-factor	0.2019
Rwork	0.199
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lzg
RMSD bond length	0.005
RMSD bond angle	0.918
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.068	0.036	0.459
Number of reflections	172551
<I/σ(I)>	8.2
Completeness [%]	84.4	99.1	53.7
Redundancy	2	2.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.8	295.5	27% PEG-MME 2000, 0.1M Tris pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 295.5K