4NKD

Crystal structure of engineered anti-EE scFv antibody fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	F 2 3
Unit cell lengths	275.666, 275.666, 275.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.600 - 3.303
R-factor	0.1968
Rwork	0.195
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nn8
RMSD bond length	0.003
RMSD bond angle	0.943
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.600	3.420
High resolution limit [Å]	3.300	3.300
Rmerge		0.298
Number of reflections	26045
<I/σ(I)>	20.21	6.97
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	Crystals of 3D5/EE_48.A (7.5mg/ml in HBS) were grown at 4 C with 0.1M BisTris pH 6.5, 0.2M Mg(OAc)2, 21% PEG 8000, crystals appeared in 4-5 days., VAPOR DIFFUSION, SITTING DROP, temperature 277.15K