5YD4

Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation T6A)

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 1 21 1
Unit cell lengths	80.470, 72.900, 86.460
Unit cell angles	90.00, 114.15, 90.00

Refinement procedure

Resolution	33.100 - 1.350
R-factor	0.13612
Rwork	0.135
R-free	0.17338
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yd3
RMSD bond length	0.014
RMSD bond angle	1.713
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.100	1.420
High resolution limit [Å]	1.350	1.350
Rmerge	0.081	0.392
Rpim	0.440	0.238
Number of reflections	197862	27517
<I/σ(I)>	10.6	2.7
Completeness [%]	99.1	94.9
Redundancy	4.3	3.6
CC(1/2)	0.996	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	100 mM BIS-TRIS 1.8 M Ammonium sulphate