5X5X

Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2014-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 2 21
Unit cell lengths	64.800, 71.472, 96.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.1828
Rwork	0.181
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kuz
RMSD bond length	0.011
RMSD bond angle	1.539
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmeas	0.071	0.033	0.522
Rpim	0.027	0.013	0.194
Number of reflections	35733	3830	3462
<I/σ(I)>	12.5	47.02	4.23
Completeness [%]	98.8	99.2	97.5
Redundancy	6.8	6.5	6.8
CC(1/2)		0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.6 M sodium formate, 29% PEG 3350