3QQO

Crystal structure of HA2 R106H mutant of H2 hemagglutinin, acidic pH form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97939
Spacegroup name	P 1 21 1
Unit cell lengths	67.999, 240.115, 70.332
Unit cell angles	90.00, 116.52, 90.00

Refinement procedure

Resolution	43.437 - 2.900
R-factor	0.2252
Rwork	0.222
R-free	0.28960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.807
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.3)
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	45.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.078	0.048	0.322
Number of reflections	39294
<I/σ(I)>	12.3
Completeness [%]	88.4	99.6	46.9
Redundancy	3.4	3.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	295.5	16% PEG 3000, 0.1M citric acid, pH 5.3, vapor diffusion, sitting drop, temperature 295.5K