8I76

Crystal structure of decarboxylated osteocalcin at pH 2.0 without glycerol

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	42.105, 42.105, 36.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.124 - 1.381
R-factor	0.1958
Rwork	0.195
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.881
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]	42.100	1.430
High resolution limit [Å]	1.380	1.380
Rmeas	0.042	0.525
Number of reflections	13177	1247
<I/σ(I)>	22.3	3.2
Completeness [%]	99.0
Redundancy	4.87
CC(1/2)	0.999	0.885

Crystallization Conditions

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