1SL8

Calcium-loaded apo-aequorin from Aequorea victoria

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-01-23
Detector	RIGAKU RAXIS IV
Wavelength(s)	2.2909
Spacegroup name	P 43 21 2
Unit cell lengths	54.371, 54.371, 135.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.640 - 1.700
R-factor	0.21679
Rwork	0.216
R-free	0.23635
Structure solution method	SAS
RMSD bond length	0.019
RMSD bond angle	1.632
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.380	0.270
Number of reflections	22954
<I/σ(I)>	45.9	4.7
Completeness [%]	98.8	91.7
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	modified microbatch	4.6	277	30% v/v 2-methyl-2,4-pentanediol, 0.1M sodium acetate, pH 4.6, modified microbatch, temperature 277K
1	modified microbatch	4.6	277	30% v/v 2-methyl-2,4-pentanediol, 0.1M sodium acetate, pH 4.6, modified microbatch, temperature 277K