4KN1

Human folate receptor beta (FOLR2) in complex with the antifolate aminopterin

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	CCD
Collection date	2011-05-01
Detector	NOIR-1
Wavelength(s)	1.2802
Spacegroup name	P 61 2 2
Unit cell lengths	97.075, 97.075, 98.955
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.538 - 2.301
R-factor	0.1914
Rwork	0.188
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kmz
RMSD bond length	0.004
RMSD bond angle	0.845
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.155	0.078	0.598
Number of reflections	12567
<I/σ(I)>	5.8
Completeness [%]	98.4	98.8	97.4
Redundancy	10.6	9.3	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M Lithium sulfate, 0.1 M Tris-HCl pH 8.0, 20% (w/v) PEG 3350, Vapor diffusion, sitting drop, temperature 293K