7D4L

X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0

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)	1.5
Spacegroup name	P 21 21 21
Unit cell lengths	34.293, 45.625, 98.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.410 - 1.600
R-factor	0.1776
Rwork	0.177
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rx2
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.097	0.446
Number of reflections	20795	1017
<I/σ(I)>	13.7	2.97
Completeness [%]	97.7	94
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 20mM imidazole, pH7.0