3U7W

Crystal structure of NIH45-46 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-04-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	49.380, 87.390, 166.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.685 - 2.600
R-factor	0.1868
Rwork	0.184
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ngb
RMSD bond length	0.004
RMSD bond angle	0.838
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_805))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.800	38.689	2.693
High resolution limit [Å]	2.600	5.596	2.600
Number of reflections	22795
Completeness [%]	99.5	98	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	12% polyethylene glycol 20,000, 0.1 M sodium acetate pH 5.0, 0.1 M sodium/potassium tartrate, 0.02 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K