7F9J

Thrombocorticin Q25K in complex with Ca2+

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)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	41.660, 44.880, 109.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.717 - 1.100
R-factor	0.1853
Rwork	0.185
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f91
RMSD bond length	0.005
RMSD bond angle	0.934
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]	38.940	1.170
High resolution limit [Å]	1.100	1.100
Number of reflections	83642	12959
<I/σ(I)>	21.83
Completeness [%]	99.4
Redundancy	9.19

Crystallization Conditions

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