8VZ4

L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-21
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	38.493, 58.592, 70.208
Unit cell angles	90.00, 102.08, 90.00

Refinement procedure

Resolution	37.640 - 1.250
R-factor	0.1654
Rwork	0.164
R-free	0.19520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.579
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.640	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.139	3.157
Rmeas	0.144	3.305
Rpim	0.038	0.955
Total number of observations	1134224	42599
Number of reflections	83315	3797
<I/σ(I)>	10.1	1.2
Completeness [%]	98.5
Redundancy	13.6	11.2
CC(1/2)	0.999	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	PEG 6000, calcium chloride, Tris