7D3Z

X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2014-08-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.502
Spacegroup name	P 21 21 21
Unit cell lengths	34.102, 45.595, 99.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.310 - 1.650
R-factor	0.1537
Rwork	0.152
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rx2
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.310	1.710
High resolution limit [Å]	1.650	1.651
Rmerge	0.040	0.422
Number of reflections	17684	1108
<I/σ(I)>	25.3
Completeness [%]	91.7	58.07
Redundancy	3.9	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 100mM NaAc, pH4.5