2CBS

CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-13 6307)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	45.250, 47.640, 74.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.100
Rwork	0.200
R-free	0.23000 *
Structure solution method	OTHER
Starting model (for MR)	1cbs
RMSD bond length	0.006 *
RMSD bond angle	25.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000 *	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.061	0.160
Number of reflections	9683
<I/σ(I)>	25.9	11.6
Completeness [%]	97.7	97.7
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		drop contained equal volume of protein and reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	24.6 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	reservoir	mPEG5000	20 (%)
4	1	reservoir	sodium acetate	0.1 (M)