3B2H

Iodide derivative of human LFABP at high resolution

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	30.278, 57.104, 74.723
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.550
Rwork	0.217
R-free	0.24630
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.038
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	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.064	0.051	0.508
Number of reflections	19340
<I/σ(I)>	14.3
Completeness [%]	99.3	99.6	97
Redundancy	12.8	11.9	12.2

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