7XI7

Human dihydrofolate reductase complexed with P39

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLRI BEAMLINE BL7.2W
Synchrotron site	SLRI
Beamline	BL7.2W
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-21
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	H 3
Unit cell lengths	83.100, 83.100, 78.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.180 - 1.650
R-factor	0.1671
Rwork	0.166
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ddr
RMSD bond length	0.006
RMSD bond angle	0.896
Data reduction software	iMOSFLM
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.560	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	47806	1202
<I/σ(I)>	13.8
Completeness [%]	100.0
Redundancy	3.5
CC(1/2)	0.997	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	297	2.85 M ammonium sulphate, 100 mM potassium phosphate