4NX6

single room temperature model of DHFR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	273
Detector technology	CCD
Collection date	2011-08-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.953724
Spacegroup name	P 21 21 21
Unit cell lengths	34.320, 45.510, 98.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.344 - 1.350
R-factor	0.1466
Rwork	0.144
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rx2
RMSD bond length	0.003
RMSD bond angle	1.025
Refinement software	PHENIX ((phenix.refine: dev_1328))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.350	1.350
Number of reflections	31891
Completeness [%]		48.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100MM HEPES PH 7.5, 21% PEG8000, 200MM MGCL2, VAPOR DIFFUSION, HANGING DROP, temperature 293K