7BXB

Crystal structure of Ca_00311

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	112.929, 112.929, 305.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.570 - 1.720
R-factor	0.1611
Rwork	0.161
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xt1
RMSD bond length	0.014
RMSD bond angle	1.285
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.570	1.740
High resolution limit [Å]	1.720	1.720
Rmerge	0.138	1.383
Rmeas	0.142	1.449
Rpim	0.029	0.421
Number of reflections	211217	10262
<I/σ(I)>	20.3	1.6
Completeness [%]	100.0
Redundancy	23.5
CC(1/2)	0.999	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M pH7.50, 0.8 sodium phosphate monobasic, 0.8M potassium phosphate monobasic