5YD5

Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation N3A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-18
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 2 21 21
Unit cell lengths	61.620, 81.900, 114.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.300 - 1.960
R-factor	0.20548
Rwork	0.203
R-free	0.25789
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yd3
RMSD bond length	0.013
RMSD bond angle	1.548
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.300	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.129	0.425
Rpim	0.065	0.174
Number of reflections	40361	2555
<I/σ(I)>	10	3.7
Completeness [%]	95.6	87.1
Redundancy	7.7	6.2
CC(1/2)	0.997	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	100 mM BIS-TRIS 1.8 M ammonium sulphate