8XS2

Crystal structure of Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219 with addition of fluorophore TAMRA

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	PIXEL
Collection date	2019-02-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 21 2 21
Unit cell lengths	66.185, 69.520, 96.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.140
R-factor	0.20438
Rwork	0.202
R-free	0.24426
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x5x
RMSD bond length	0.010
RMSD bond angle	1.456
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.140	5.810	2.140
Rmerge	0.115	0.033	1.015
Rmeas	0.120	0.035	1.060
Rpim	0.033	0.010	0.302
Number of reflections	24972	1388	1216
<I/σ(I)>	5.4	58.9	2.47
Completeness [%]	99.5	99.9	98.1
Redundancy	12.6	12	11.8
CC(1/2)	0.999	1.000	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, 0.3 M Ammonium Acetate, 25% PEG 3350, 0.6 mM TAMRA