3VG3

Cadmium 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	30.147, 57.246, 73.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.220
R-factor	0.2408
Rwork	0.233
R-free	0.30020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.390
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.210	4.760	2.210
Rmerge	0.068	0.054	0.370
Number of reflections	6719
<I/σ(I)>	16
Completeness [%]	98.9	99.7	89.2
Redundancy	13	12.3	9.4

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