3CBS

CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-12 7310)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	38.030, 48.320, 83.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
Rwork	0.200
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cbs
RMSD bond length	0.006
RMSD bond angle	25.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000 *	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.029	0.110
Number of reflections	10051
<I/σ(I)>	35.1	12.2
Completeness [%]	91.9	93.3
Redundancy	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	277 *	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	reservoir	mPEG5000	20 (%)
4	1	reservoir	Tris-HCl	0.2 (M)
5	1	reservoir		0.2 (M)