7BXD

Crystal structure of Ca_00815

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	I 2 3
Unit cell lengths	113.420, 113.420, 113.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.870 - 1.180
R-factor	0.1412
Rwork	0.141
R-free	0.15450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dci
RMSD bond length	0.010
RMSD bond angle	1.077
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]	46.300	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.075	2.931
Rmeas	0.076	2.975
Rpim	0.012	0.516
Number of reflections	79909	3925
<I/σ(I)>	26.9	1.4
Completeness [%]	99.9	98.8
Redundancy	38.9	32.2
CC(1/2)	1.000	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2M KCL, 0.1M pH 6.0, 20% PEG 6000