4DN4

Crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	95
Detector technology	CCD
Collection date	2009-01-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 63 2 2
Unit cell lengths	136.010, 136.010, 109.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.19955
Rwork	0.196
R-free	0.26565
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.061
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.880
High resolution limit [Å]	2.800	2.800
Rmerge	0.149	0.557
Number of reflections	15133
Completeness [%]	99.7	98.5
Redundancy	26.7	25.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1.8 M AMMONIUM SULFATE, 0.1 M ACETATE, CRYO CONDITIONS: 2.0 M AMMONIUM SULFATE, 0.1 M ACETATE PH 5.5, 25% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, temperature 293K