3CXD

Crystal structure of anti-osteopontin antibody 23C3 in complex with its epitope peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.318, 92.020, 122.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.251
Rwork	0.248
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jhk
RMSD bond length	0.006
RMSD bond angle	1.003
Data reduction software	CrystalClear
Data scaling software	d*TREK (7.1SSI)
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.900
High resolution limit [Å]	2.800	5.980	2.800
Rmerge	0.135	0.064	0.293
Total number of observations		8545	8415
Number of reflections	12125
<I/σ(I)>	5	10.6	2.1
Completeness [%]	98.4	92.6	100
Redundancy	6.65	6.16	7.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	0.2M di-sodium tartrate, 20% PEG3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K