5IZQ

Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.078
Spacegroup name	P 21 21 21
Unit cell lengths	90.793, 144.982, 211.252
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.110 - 3.600
R-factor	0.2182
Rwork	0.216
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lrh
RMSD bond length	0.005
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.810
High resolution limit [Å]	3.600	3.600
Rmerge	0.250	1.100
Number of reflections	32930
<I/σ(I)>	9.8	1.8
Completeness [%]	99.7	99
Redundancy	5.6	5.7
CC(1/2)	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	10% (w/v) polyethylene glycol 10K, 0.1 M BIS-TRIS pH 6.5, 0.2 M potassium sodium tartrate tetrahydrate