5UIP

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	2016-07-08
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	38.597, 46.115, 47.982
Unit cell angles	78.04, 75.80, 75.53

Refinement procedure

Resolution	21.809 - 1.900
R-factor	0.1596
Rwork	0.158
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ra3
RMSD bond length	0.003
RMSD bond angle	0.646
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	23632
<I/σ(I)>	15.1	7.8
Completeness [%]	97.5	81.2
Redundancy	3.4	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2mM NADP,10mM 2,4 diaminopyridine,50mM N-(4aminobenzoyl)-L-glutamate