3B2J

Iodide derivative of human LFABP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-09-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	28.982, 57.608, 75.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.2145
Rwork	0.206
R-free	0.29220
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.124
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.105	0.060	0.458
Number of reflections	9041
<I/σ(I)>	9.9
Completeness [%]	99.4	99.7	94
Redundancy	13.4	12.4	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	8	293	30% PEG MME 2000, 0.15M KBr, pH 8.0, hanging drop, temperature 293K