5CC9

L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 21 21 21
Unit cell lengths	34.536, 58.245, 79.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.959 - 1.199
R-factor	0.1574
Rwork	0.155
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rx6
RMSD bond length	0.009
RMSD bond angle	1.319
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.960	1.220
High resolution limit [Å]	1.200	1.200
Rmerge		1.000
Number of reflections	50682
<I/σ(I)>	43.8	2
Completeness [%]	99.2	98.6
Redundancy	12.2	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1M tris(hydroxymethyl)aminomethane, 20% w/v PEG3350, 0.2M calcium acetate