5UIO

structure of DHFR with bound DAP, p-ABG and NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-16
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	62.781, 103.945, 145.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.446 - 1.929
R-factor	0.1926
Rwork	0.192
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ra3
RMSD bond length	0.009
RMSD bond angle	0.891
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.930	1.930
Number of reflections	72439	3616
<I/σ(I)>	18.6	2.7
Completeness [%]	100.0	99.9
Redundancy	7.9	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2mM NADP,10mM DAP,50mM p-ABP,0.2M Magnesium Formate,20% PEG3350