8I74

Crystal structure of decarboxylated osteocalcin at pH 8.5

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]	100
Detector technology	CCD
Collection date	2017-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 41
Unit cell lengths	42.799, 42.799, 37.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.263 - 1.360
R-factor	0.1768
Rwork	0.176
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.871
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.800	1.410
High resolution limit [Å]	1.360	1.360
Rmeas	0.039	0.510
Number of reflections	14857	1481
<I/σ(I)>	29.5	3.9
Completeness [%]	99.8
Redundancy	8.11
CC(1/2)	0.999	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate, Tris-HCl pH 8.5