7FCG

X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing Indometacin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-19
Detector	RAYONIX MX300HE
Wavelength(s)	0.800
Spacegroup name	P 21 21 21
Unit cell lengths	54.643, 69.214, 33.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.490 - 1.190
R-factor	0.15029
Rwork	0.148
R-free	0.18902
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wvm
RMSD bond length	0.018
RMSD bond angle	2.038
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.210
High resolution limit [Å]	1.190	1.190
Rpim	0.032	0.306
Number of reflections	41963	2309
<I/σ(I)>	10.3	2.3
Completeness [%]	99.8
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M Tris-HCl (pH8.0), 50% PEG 400