2ANS

ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH 1-ANILINO-8-NAPHTHALENE SULFONATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	80.800, 96.100, 49.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.000 - 2.500
R-factor	0.189
Rwork	0.189
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lib
RMSD bond length	0.007
RMSD bond angle	1.581 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	CNS
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	2.700
High resolution limit [Å]	2.500	2.500
Rmerge	0.102 *	0.312 *
Total number of observations	74950 *
Number of reflections	12287	1263 *
Completeness [%]	95.0	58
Redundancy	6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)
2	1	reservoir	PEG400	2 (%(v/v))
3	1	reservoir	ammonium sulfate	2.0 (M)