6Q1A

Inferred intermediate mutant (I-6V) of the human antibody lineage 652

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	80
Detector technology	CCD
Collection date	2016-05-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	70.021, 71.780, 90.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.859 - 2.001
R-factor	0.2044
Rwork	0.203
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.859	2.073
High resolution limit [Å]	2.001	2.001
Rmerge	0.067	0.822
Number of reflections	31446	3073
<I/σ(I)>	25.32
Completeness [%]	99.9	99.71
Redundancy	7.2
CC(1/2)	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291.15	200 mM zinc acetate, 10% (w/v) PEG 8000 100 mM MES pH 6.0