3SFM

Novel crystallization conditions for tandem variant R67 DHFR yields wild-type crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2009-09-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	67.691, 67.691, 51.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.970 - 1.400
R-factor	0.14548
Rwork	0.144
R-free	0.16387
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rh2
RMSD bond length	0.021
RMSD bond angle	1.917
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.430
High resolution limit [Å]	1.400	1.400
Rmerge	0.061	0.371
Number of reflections	12169
<I/σ(I)>	18.5
Completeness [%]	100.0	100
Redundancy	23.8	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	0.1 M sodium phosphate, 55% MPD, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K