7G1X

Crystal Structure of apo human FABP1 - monoclinic form I

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	2012-04-04
Detector	PSI PILATUS 6M
Wavelength(s)	0.999980
Spacegroup name	P 1 21 1
Unit cell lengths	58.691, 34.929, 59.321
Unit cell angles	90.00, 119.21, 90.00

Refinement procedure

Resolution	34.930 - 1.650
R-factor	0.2051
Rwork	0.202
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.017
RMSD bond angle	2.038
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0018)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.930	34.930	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.046	0.023	0.777
Rmeas	0.055	0.028	0.993
Total number of observations	77482
Number of reflections	24662	315	1273
<I/σ(I)>	13.85	35.07	1.17
Completeness [%]	96.0	95.5	67.2
Redundancy	3.142	3.01	1.932
CC(1/2)	0.999	0.998	0.419

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