5CE4

High Resolution X-Ray and Neutron diffraction structure of H-FABP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2012-06-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.7085
Spacegroup name	P 21 21 21
Unit cell lengths	34.588, 55.307, 71.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.110 - 0.980
R-factor	0.1404
Rwork	0.139
R-free	0.15920
RMSD bond length	0.049
RMSD bond angle	0.967
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: dev_1796))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.670	1.030
High resolution limit [Å]	0.980	0.980
Number of reflections	73795
<I/σ(I)>	6.8
Completeness [%]	93.5	92.6
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	20mM Tris 22% PEG 4000 Heavy water
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	20mM Tris 22% PEG 4000 Heavy water