7FBL

Thrombocorticin in complex with Ca2+ and mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	41.570, 44.980, 109.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.082 - 1.419
R-factor	0.1624
Rwork	0.162
R-free	0.18190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f9f
RMSD bond length	0.007
RMSD bond angle	0.965
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.630	1.500
High resolution limit [Å]	1.419	1.419
Number of reflections	39544	6240
<I/σ(I)>	22.27
Completeness [%]	99.7
Redundancy	9.51

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	sodium acetate, PEG 3350, PEG 400