3LBI

Ras soaked in Magnesium Acetate and back soaked in Calcium Acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-12-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	88.716, 88.716, 134.583
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.403 - 2.087
R-factor	0.1794
Rwork	0.175
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k8y
RMSD bond length	0.008
RMSD bond angle	1.062
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.4_6))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.160
High resolution limit [Å]	2.087	2.087
Number of reflections	11685
<I/σ(I)>	15	2.8
Completeness [%]	94.3	87
Redundancy	7.5	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	200 mM Calcium Acetate, 20 % PEG 3350, 0.05% n-Octylglucopyranoside, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K