4M6K

Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and folate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 63 2 2
Unit cell lengths	68.213, 68.213, 160.163
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.770 - 1.396
R-factor	0.1466
Rwork	0.145
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m6j
RMSD bond length	0.009
RMSD bond angle	1.410
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.396	1.396
Number of reflections	44528
<I/σ(I)>	24.4	2.1
Completeness [%]	99.6	92.3
Redundancy	19.3	19.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	295	2 M ammonium sulfate, 100 mM phosphate/citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K