6BHZ

Trastuzumab Fab D185A (Light Chain) 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	38.571, 79.506, 85.591
Unit cell angles	113.18, 93.19, 102.52

Refinement procedure

Resolution	42.271 - 1.750
R-factor	0.169
Rwork	0.168
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8z
RMSD bond length	0.004
RMSD bond angle	0.842
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	1.790
High resolution limit [Å]	1.750	1.750
Rmerge		0.340
Rmeas	0.051	0.446
Rpim	0.033
Number of reflections	88658	5727
<I/σ(I)>	21.5	2.4
Completeness [%]	97.5	95.2
Redundancy	2.4	2.2
CC(1/2)		0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	200 mM di-Ammonium Tartrate, 20% PEG 3350