5V35

Crystal structure of V71F mutant of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) complexed with S-farnesyl-L-cysteine methyl ester

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-11-09
Detector	RDI CMOS_8M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	53.150, 65.520, 106.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.470 - 2.500
R-factor	0.21871
Rwork	0.216
R-free	0.27242
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u9a
RMSD bond length	0.014
RMSD bond angle	1.729
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.475	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.055	0.681
Number of reflections	6744
<I/σ(I)>	23.8	3.5
Completeness [%]	99.8	99.9
Redundancy	13.8	13
CC(1/2)	0.999	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	100 mM Na-Citrate 20 % (W/V) PEG 4000 20 % (V/V) 2-Propanol