4KN0

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

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	2011-01-30
Detector	NOIR-1
Wavelength(s)	1.0008
Spacegroup name	P 61 2 2
Unit cell lengths	97.601, 97.601, 99.374
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.801 - 2.100
R-factor	0.1814
Rwork	0.178
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kmz
RMSD bond length	0.013
RMSD bond angle	1.266
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.123	0.059	0.495
Number of reflections	16898
<I/σ(I)>	7.3
Completeness [%]	100.0	99.9	99.8
Redundancy	8.7	7.8	6.9

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