8I75

Crystal structure of decarboxylated osteocalcin at pH 2.0

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	2017-12-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 41
Unit cell lengths	42.237, 42.237, 36.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.208 - 1.330
R-factor	0.187
Rwork	0.185
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.777
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]	23.210	1.380
High resolution limit [Å]	1.330	1.330
Rmeas	0.039	0.572
Number of reflections	72423	1437
<I/σ(I)>	22.9	2.9
Completeness [%]	98.8
Redundancy	4.85
CC(1/2)	0.999	0.890

Crystallization Conditions

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