3HR5

M1prime peptide from IgE bound by humanized antibody 47H4 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	110
Detector technology	CCD
Collection date	2007-10-07
Detector	ADSC QUANTUM 315
Wavelength(s)	.97920
Spacegroup name	P 21 21 21
Unit cell lengths	64.764, 183.824, 194.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.21387
Rwork	0.213
R-free	0.25329
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.394
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Rmerge	0.080
Number of reflections	81785
<I/σ(I)>	15
Completeness [%]	88.9
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	300	PEG 3350, 0.2 M Ammonium sulfate, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 300K