6P79

Engineered single chain antibody C9+C14 ScFv

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	2014-08-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	44.282, 66.696, 74.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.126 - 1.583
R-factor	0.1763
Rwork	0.174
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3umt
RMSD bond length	0.006
RMSD bond angle	1.139
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.070	0.327
Number of reflections	31217	1287
<I/σ(I)>	33.3	5.15
Completeness [%]	99.2	84.6
Redundancy	7.7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris-HCl, pH 8.5, 15% PEG2000