4KN2

Human folate receptor beta (FOLR2) in complex with antifolate pemetrexed

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	2011-03-02
Detector	NOIR-1
Wavelength(s)	0.91840
Spacegroup name	I 41 2 2
Unit cell lengths	97.443, 97.443, 348.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.721 - 2.600
R-factor	0.1962
Rwork	0.194
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kmz
RMSD bond length	0.008
RMSD bond angle	1.067
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	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.113	0.047	0.675
Number of reflections	26536
<I/σ(I)>	6.6
Completeness [%]	100.0	99.5	100
Redundancy	8.1	7.3	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	1.5 M Ammonium phosphate dibasc, 0.1 M Tris pH 8.5, Vapor diffusion, sitting drop, temperature 293K