1DC9

PROPERTIES AND CRYSTAL STRUCTURE OF A BETA-BARREL FOLDING MUTANT, V60N INTESTINAL FATTY ACID BINDING PROTEIN (IFABP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1999-03-05
Detector	SIEMENS HI-STAR
Spacegroup name	P 1 21 1
Unit cell lengths	36.636, 52.375, 31.594
Unit cell angles	90.00, 90.92, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.189
Rwork	0.189
R-free	0.22800
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.220
High resolution limit [Å]	2.100	2.090
Rmerge	0.047 *	0.151 *
Total number of observations	19796 *
Number of reflections	6804	447 *
<I/σ(I)>	23.9
Completeness [%]	91.0	38.2
Redundancy	3.1	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3		36-38% PEG 4000, 0.1 M PIPES, 1:1 RATIO WELL AND 4.6 MG/ML PROTEIN IN WATER, pH 7.3, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.6 (mg/ml)
2	1	reservoir	PEG4000	36-38 (%)
3	1	reservoir	PIPES	0.1 (M)	pH7.3