6BI0

Trastuzumab Fab N158A, D185A, K190A (Light Chain) Triple Mutant.

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	2017-05-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 1
Unit cell lengths	38.501, 79.561, 85.511
Unit cell angles	113.00, 93.18, 102.13

Refinement procedure

Resolution	44.112 - 2.057
R-factor	0.2002
Rwork	0.199
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8z
RMSD bond length	0.003
RMSD bond angle	0.765
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.077	0.475
Rmeas	0.101	0.616
Rpim	0.064	0.388
Number of reflections	51673	3475
<I/σ(I)>	10.2	1.25
Completeness [%]	92.0	61.5
Redundancy	2.3	1.9
CC(1/2)		0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	100 mM Tris-HCl, pH 7.0, 20% PEGMME 2000