4DOL

Crystal structure of Arabidopsis thaliana fatty-acid binding protein At1g53520 (AtFAP3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-11
Detector	ADSC Quantum Q315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	51.908, 52.911, 95.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.274 - 1.700
Rwork	0.203
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4doi
RMSD bond length	0.005
RMSD bond angle	1.147
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.274	46.274	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.045	0.026	0.575
Total number of observations		6194	23634
Number of reflections	29609
<I/σ(I)>	20.1	23.2	1.3
Completeness [%]	99.7	93.1	99.3
Redundancy	6.7	6.3	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M sodium PIPES, 8% (w/v) PEG 8000, 0.2 M calcium acetate, 2 mM dithiothreitol, pH 6.5, vapor diffusion, hanging drop, temperature 277K