5EOR

Structure of the murine antibody Fab 8E3 bound to the vaccinia virus A27 peptide 101-110

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	118.250, 118.250, 198.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.620 - 2.270
R-factor	0.20399
Rwork	0.203
R-free	0.22363
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ntf
RMSD bond length	0.010
RMSD bond angle	1.292
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.620	2.530
High resolution limit [Å]	2.270	2.270
Rmerge		0.494
Number of reflections	35641
<I/σ(I)>	6.3	2.1
Completeness [%]	97.8	98.1
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	10% PEG 3000, 200 mM magnesium chloride, 100 mM cacodylate ph 6.5