6EYN

Structure of the 8D6 (anti-IgE) Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43
Unit cell lengths	157.957, 157.957, 77.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.553 - 2.400
R-factor	0.1828
Rwork	0.181
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i7z
RMSD bond length	0.003
RMSD bond angle	0.643
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.640	2.450
High resolution limit [Å]	2.400	2.400
Rmerge	0.123	1.470
Rpim	0.049	0.581
Number of reflections	74039	4617
<I/σ(I)>	10.5	1.9
Completeness [%]	98.8	99.9
Redundancy	6.2	6.3
CC(1/2)	0.996	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M ADA (N-(2-acetamido) iminodiacetic acid) pH6.5 and 12% (w/v) PEG 4000