6B9Y

Trastuzumab Fab v3 in complex with 5-phenyl meditope variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-01-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.990, 104.600, 116.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.903 - 2.140
R-factor	0.1733
Rwork	0.171
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ioi
RMSD bond length	0.006
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.350	2.200
High resolution limit [Å]	2.140	2.140
Rmeas	0.180	1.090
Number of reflections	36407	2655
<I/σ(I)>	9.1	1.65
Completeness [%]	99.9	100
Redundancy	4.8	4.7
CC(1/2)	0.994	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris pH 7.5, 15% PEG3350, 24 mM NaCl