6BI2

Trastuzumab Fab D185A (Light Chain) Mutant Biotin Conjugation.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 1
Unit cell lengths	38.646, 69.139, 91.471
Unit cell angles	109.80, 100.29, 90.08

Refinement procedure

Resolution	37.370 - 1.801
R-factor	0.1675
Rwork	0.166
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8z
RMSD bond length	0.007
RMSD bond angle	0.908
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.047	0.461
Rmeas	0.055	0.538
Rpim	0.028	0.276
Number of reflections	78712	7683
<I/σ(I)>	25	2.14
Completeness [%]	97.5	95.1
Redundancy	3.9	3.7
CC(1/2)		0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	1.0% trptone, 20% PEG 3350, 100 mM HEPES pH 7.0