4KUZ

Crystal structure of anti-emmprin antibody 4A5 Fab in trigonal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	95
Detector technology	CCD
Collection date	2008-09-24
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	126.430, 126.430, 97.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.200 - 2.700
R-factor	0.2332
Rwork	0.230
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1IL1 AND 1IGJ
RMSD bond length	0.009
RMSD bond angle	1.223
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.103	0.477
Number of reflections	24553
<I/σ(I)>	20.7	4
Completeness [%]	99.3	93
Redundancy	11	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	0.1 M CHES, pH 9.5, 2.0 M ammonium sulfate, 5% isopropanol, cryoprotectant: mother liquor + 25% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K