4IOI

Meditope-enabled trastuzumab in complex with CQFDLSTRRLKC

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	2012-11-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	53.310, 105.110, 117.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.579 - 1.950
R-factor	0.1772
Rwork	0.176
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.580	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.047	0.452
Number of reflections	44759
<I/σ(I)>	23.6	3.4
Completeness [%]	91.7	98.4
Redundancy	4.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	20% PEG 3350, 25 mM NaCl, 50 mM Hepes, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K