4X4X

Retrofitting antibodies with stabilizing mutations. Herceptin scFv mutant.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 31 2 1
Unit cell lengths	91.190, 91.190, 114.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.650 - 2.250
R-factor	0.2283
Rwork	0.226
R-free	0.26906
RMSD bond length	0.011
RMSD bond angle	1.451
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.650	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.104	0.860
Number of reflections	26621
<I/σ(I)>	8.5	1.8
Completeness [%]	99.9	100
Redundancy	5	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	3.5 M sodium formate, 100 mM sodium acetate (pH 4.5)