5ZAB

Crystal structure of cf3-aequorin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	91.800, 97.550, 121.840
Unit cell angles	77.62, 73.06, 75.17

Refinement procedure

Resolution	46.608 - 2.147
R-factor	0.1964
Rwork	0.196
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ej3
RMSD bond length	0.008
RMSD bond angle	0.916
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.608	46.608	2.280
High resolution limit [Å]	2.150	6.390	2.150
Rmerge	0.087	0.027	0.762
Rmeas	0.101	0.031	0.883
Total number of observations	814099
Number of reflections	206078	7940	32319
<I/σ(I)>	12.06	36.6	2.01
Completeness [%]	97.6	98.8	94.8
Redundancy	3.95	3.916	3.883
CC(1/2)	0.998	0.999	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10mM Bis-Tris(pH7.3), 2M Ammonium sulfate, 2mM EDTA