7G0W

Crystal Structure of apo human FABP1i monoclinic form II, twinned with beta=90deg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-11
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 1 21 1
Unit cell lengths	38.947, 106.685, 56.261
Unit cell angles	90.00, 90.36, 90.00

Refinement procedure

Resolution	38.709 - 1.640
R-factor	0.1791
Rwork	0.177
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.007
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_989)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.710	38.709	1.680
High resolution limit [Å]	1.640	7.330	1.640
Rmerge	0.056	0.027	1.062
Rmeas	0.064	0.032	1.277
Total number of observations	184675
Number of reflections	56090	659	4148
<I/σ(I)>	12.22	41.72	1.21
Completeness [%]	99.8	98.9	99.4
Redundancy	3.32	3.347	3.153
CC(1/2)	0.999	0.999	0.334

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368