6P3R

crystal structure of human Fab H5.31 in complex with influenza A H5N1 Vietnam hemagglutinin head domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-23
Detector	RAYONIX MX-300
Wavelength(s)	0.9786
Spacegroup name	F 2 2 2
Unit cell lengths	185.113, 234.472, 284.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.469 - 3.000
R-factor	0.1939
Rwork	0.192
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xnq 4gsd
RMSD bond length	0.002
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.520	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.071	0.508
Rmeas	0.078
Number of reflections	61716	8933
<I/σ(I)>	16
Completeness [%]	100.0
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.8 M K2HPO4, 0.6 M NaHPO4