5EAJ

Crystal structure of DHFR in 0% Isopropanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-02-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	91.947, 91.947, 73.097
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.916 - 1.701
R-factor	0.1992
Rwork	0.198
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rd7
RMSD bond length	0.004
RMSD bond angle	0.858
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.061	0.037	0.525
Total number of observations	320420
Number of reflections	38279
<I/σ(I)>	15.8
Completeness [%]	99.1	99.2	94.6
Redundancy	8.4	8.8	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M CaCl2, 20-35 % (w/v) PEG 6000, 0.1M NaHEPES pH7.5